1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,3-c]quinoline

2.1.2 InChI

InChI=1S/C27H24N4O2/c1-32-24-10-8-18(14-25(24)33-2)26-22-16-29-23-6-4-3-5-21(23)27(22)31(30-26)20-9-7-17-11-12-28-15-19(17)13-20/h3-10,13-14,16,28H,11-12,15H2,1-2H3

2.1.3 InChI Key

AAIAGDXMETYTJE-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

U4DPU7W7QU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Lomonitinib [inn]

2. U4dpu7w7qu

3. 1h-pyrazolo[4,3-c]quinoline, 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydro-7-isoquinolinyl)-

4. 2923221-56-9

5. 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1h-pyrazolo[4,3-c]quinoline

6. 7-[3-(3,4-dimethoxyphenyl)-1h-pyrazolo[4,3-c]quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline

2.4 Create Date

2024-07-25

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₄N₄O₂
Molecular Weight	436.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	61.2
Heavy Atom Count	33
Formal Charge	0
Complexity	664
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Lomonitinib

Lomonitinib

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