2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide

C19H11N3O6 — CID 137185746

IUPAC2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2c(O)c3ccccc3oc2=O)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H11N3O6/c20-18(24)12-8-14(21-13-6-5-9(22(26)27)7-11(12)13)16-17(23)10-3-1-2-4-15(10)28-19(16)25/h1-8,23H,(H2,20,24)
InChIKeyWTTNMXRTDJDBJT-UHFFFAOYSA-N
MW377.31 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide

2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide (PubChem CID 137185746) has the molecular formula C19H11N3O6 and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide
PubChem CID137185746
Molecular FormulaC19H11N3O6
Molecular Weight377.31 g/mol
Exact Mass377.06
IUPAC Name2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2c(O)c3ccccc3oc2=O)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H11N3O6/c20-18(24)12-8-14(21-13-6-5-9(22(26)27)7-11(12)13)16-17(23)10-3-1-2-4-15(10)28-19(16)25/h1-8,23H,(H2,20,24)
InChIKeyWTTNMXRTDJDBJT-UHFFFAOYSA-N
XLogP2.72
TPSA149.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one
CID 175430641
3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
CID 135479945
4-methyl-6-nitro-2-oxochromene-3-carboxylic acid
CID 122370130
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylquinoline-4-carboxylate
CID 35779220
4-methyl-3-(2-methylphenyl)-6-nitrochromen-2-one
CID 177149503
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
4-amino-2-(3-nitrophenyl)chromeno[3,4-c]pyridin-5-one
CID 630499
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
methyl 2-(6-nitro-4-oxo-3,1-benzoxazin-2-yl)benzoate
CID 102242119
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
2-[(E)-[4-(4-hydroxy-2-oxochromen-3-yl)-4-(4-nitrophenyl)butan-2-ylidene]amino]oxyacetic acid
CID 90195954

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide?
The IUPAC name of 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide (CID 137185746) is 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide?
The canonical SMILES for 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide is NC(=O)c1cc(-c2c(O)c3ccccc3oc2=O)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide?
The InChIKey is WTTNMXRTDJDBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O6/c20-18(24)12-8-14(21-13-6-5-9(22(26)27)7-11(12)13)16-17(23)10-3-1-2-4-15(10)28-19(16)25/h1-8,23H,(H2,20,24).
What are the key properties of 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide?
2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide has a molecular weight of 377.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxochromen-3-yl)-6-nitroquinoline-4-carboxamide is sourced from PubChem (CID 137185746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).