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

C24H22ClN3O2 — CID 46338479

IUPACN-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C24H22ClN3O2/c25-18-11-5-7-13-20(18)27-23(29)21-16-10-4-6-12-19(16)26-22-17(21)14-28(24(22)30)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2,(H,27,29)
InChIKeyHZZJZZPGBRAYJH-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.43
Rot. Bonds3

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

N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (PubChem CID 46338479) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
PubChem CID46338479
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C24H22ClN3O2/c25-18-11-5-7-13-20(18)27-23(29)21-16-10-4-6-12-19(16)26-22-17(21)14-28(24(22)30)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2,(H,27,29)
InChIKeyHZZJZZPGBRAYJH-UHFFFAOYSA-N
XLogP5.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (CID 46338479) is N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is O=C(Nc1ccccc1Cl)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The InChIKey is HZZJZZPGBRAYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-18-11-5-7-13-20(18)27-23(29)21-16-10-4-6-12-19(16)26-22-17(21)14-28(24(22)30)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2,(H,27,29).
What are the key properties of N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is sourced from PubChem (CID 46338479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).