2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide

C24H14ClN5O4 — CID 5145081

IUPAC2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H14ClN5O4/c25-18-7-3-1-6-15(18)21-12-16(14-5-2-4-8-19(14)26-21)23(31)29-28-22-17-11-13(30(33)34)9-10-20(17)27-24(22)32/h1-12,27,32H/b29-28+
InChIKeyLURWMMNYAXSHCC-ZQHSETAFSA-N
MW471.86 g/mol
LogP6.57
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide (PubChem CID 5145081) has the molecular formula C24H14ClN5O4 and a molecular weight of 471.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide
PubChem CID5145081
Molecular FormulaC24H14ClN5O4
Molecular Weight471.86 g/mol
Exact Mass471.07
IUPAC Name2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H14ClN5O4/c25-18-7-3-1-6-15(18)21-12-16(14-5-2-4-8-19(14)26-21)23(31)29-28-22-17-11-13(30(33)34)9-10-20(17)27-24(22)32/h1-12,27,32H/b29-28+
InChIKeyLURWMMNYAXSHCC-ZQHSETAFSA-N
XLogP6.57
TPSA133.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.86
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide (CID 5145081) is 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The InChIKey is LURWMMNYAXSHCC-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H14ClN5O4/c25-18-7-3-1-6-15(18)21-12-16(14-5-2-4-8-19(14)26-21)23(31)29-28-22-17-11-13(30(33)34)9-10-20(17)27-24(22)32/h1-12,27,32H/b29-28+.
What are the key properties of 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide has a molecular weight of 471.86 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]quinoline-4-carboxamide is sourced from PubChem (CID 5145081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).