3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide

C16H12ClN3O4 — CID 154751414

IUPAC3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide
SMILESO=C1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2N1
InChIInChI=1S/C16H12ClN3O4/c17-12-7-10(2-5-14(12)20(23)24)16(22)18-11-4-1-9-3-6-15(21)19-13(9)8-11/h1-2,4-5,7-8H,3,6H2,(H,18,22)(H,19,21)
InChIKeyKPVINFRFTKFITL-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.39
Rot. Bonds3

About 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide

3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide (PubChem CID 154751414) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide
PubChem CID154751414
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide
SMILESO=C1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2N1
InChIInChI=1S/C16H12ClN3O4/c17-12-7-10(2-5-14(12)20(23)24)16(22)18-11-4-1-9-3-6-15(21)19-13(9)8-11/h1-2,4-5,7-8H,3,6H2,(H,18,22)(H,19,21)
InChIKeyKPVINFRFTKFITL-UHFFFAOYSA-N
XLogP3.39
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyridazine-4-carboxamide
CID 145472242
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-chloro-3-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 35529834
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide?
The IUPAC name of 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide (CID 154751414) is 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide is O=C1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2N1.
What is the InChIKey of 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide?
The InChIKey is KPVINFRFTKFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-12-7-10(2-5-14(12)20(23)24)16(22)18-11-4-1-9-3-6-15(21)19-13(9)8-11/h1-2,4-5,7-8H,3,6H2,(H,18,22)(H,19,21).
What are the key properties of 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide?
3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide has a molecular weight of 345.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 154751414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).