2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide

C19H16ClN3O5 — CID 52912299

IUPAC2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide
SMILESCCCNC(=O)c1ccc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)c(O)c(=O)c2c1
InChIInChI=1S/C19H16ClN3O5/c1-2-7-21-19(26)11-4-6-14-12(8-11)17(24)18(25)16(22-14)10-3-5-13(20)15(9-10)23(27)28/h3-6,8-9,25H,2,7H2,1H3,(H,21,26)(H,22,24)
InChIKeyQMSGSQBJHRRQTN-UHFFFAOYSA-N
MW401.81 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide

2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide (PubChem CID 52912299) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide
PubChem CID52912299
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC Name2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide
SMILESCCCNC(=O)c1ccc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)c(O)c(=O)c2c1
InChIInChI=1S/C19H16ClN3O5/c1-2-7-21-19(26)11-4-6-14-12(8-11)17(24)18(25)16(22-14)10-3-5-13(20)15(9-10)23(27)28/h3-6,8-9,25H,2,7H2,1H3,(H,21,26)(H,22,24)
InChIKeyQMSGSQBJHRRQTN-UHFFFAOYSA-N
XLogP3.60
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-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-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
CID 52912386
2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
CID 16745861
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
CID 52912342
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291
4-chloro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317151
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
3-[(4-chloro-3-nitrobenzoyl)amino]propanoic acid
CID 60657227
6-[(4-chloro-3-nitrobenzoyl)amino]hexanoic acid
CID 103602649
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
N-(5-amino-5-oxopentyl)-4-chloro-3-nitrobenzamide
CID 106235410
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide (CID 52912299) is 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide is CCCNC(=O)c1ccc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)c(O)c(=O)c2c1.
What is the InChIKey of 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide?
The InChIKey is QMSGSQBJHRRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-2-7-21-19(26)11-4-6-14-12(8-11)17(24)18(25)16(22-14)10-3-5-13(20)15(9-10)23(27)28/h3-6,8-9,25H,2,7H2,1H3,(H,21,26)(H,22,24).
What are the key properties of 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide?
2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide has a molecular weight of 401.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide is sourced from PubChem (CID 52912299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).