N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

C25H24ClN3O3 — CID 46338427

IUPACN-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C25H24ClN3O3/c1-32-21-12-11-15(26)13-20(21)28-24(30)22-17-9-5-6-10-19(17)27-23-18(22)14-29(25(23)31)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,28,30)
InChIKeyCOHHLDYRWMODFD-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.44
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (PubChem CID 46338427) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
PubChem CID46338427
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C25H24ClN3O3/c1-32-21-12-11-15(26)13-20(21)28-24(30)22-17-9-5-6-10-19(17)27-23-18(22)14-29(25(23)31)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,28,30)
InChIKeyCOHHLDYRWMODFD-UHFFFAOYSA-N
XLogP5.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 46338473
N-(5-chloro-2-methylphenyl)-2-cyclohexyl-N-methyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 46338464
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
2-cyclohexyl-3-oxo-N-[(1S)-1-thiophen-2-ylbutyl]-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 92749398
2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
2-[[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl]amino]-N-cyclohexylacetamide
CID 53465009
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1155474
N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3149143
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (CID 46338427) is N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The InChIKey is COHHLDYRWMODFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-32-21-12-11-15(26)13-20(21)28-24(30)22-17-9-5-6-10-19(17)27-23-18(22)14-29(25(23)31)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,28,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is sourced from PubChem (CID 46338427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).