3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one

C14H12N2O5 — CID 54711814

IUPAC3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one
SMILESCC(=O)c1c(O)c2cc([N+](=O)[O-])ccc2n(C2CC2)c1=O
InChIInChI=1S/C14H12N2O5/c1-7(17)12-13(18)10-6-9(16(20)21)4-5-11(10)15(14(12)19)8-2-3-8/h4-6,8,18H,2-3H2,1H3
InChIKeyCBQGJCLYWHRYCT-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.15
Rot. Bonds3

About 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one

3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one (PubChem CID 54711814) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one
PubChem CID54711814
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one
SMILESCC(=O)c1c(O)c2cc([N+](=O)[O-])ccc2n(C2CC2)c1=O
InChIInChI=1S/C14H12N2O5/c1-7(17)12-13(18)10-6-9(16(20)21)4-5-11(10)15(14(12)19)8-2-3-8/h4-6,8,18H,2-3H2,1H3
InChIKeyCBQGJCLYWHRYCT-UHFFFAOYSA-N
XLogP2.15
TPSA102.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-(1-cyclopropyl-6-nitro-4-oxo-2-sulfanylidenequinazolin-3-yl)benzoic acid
CID 101091727
1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
CID 54710445
3-acetyl-1-methyl-5-nitrobenzimidazol-2-one
CID 802576
methyl 4-hydroxy-1-methyl-7-nitro-2-oxoquinoline-3-carboxylate
CID 54677611
1-(3-chloro-5-nitroindazol-1-yl)ethanone
CID 2777625
1-(2-methylpropyl)-6-nitro-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
CID 22923380
1-cyclopropyl-5-nitro-2-phenylbenzimidazole
CID 46942056
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
1-[3-cyclopropyl-4-methyl-2-(4-nitrophenyl)imino-1,3-thiazol-5-yl]ethanone
CID 68861211
6-nitro-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 58884993
dimethyl 5-methyl-8-nitro-4-oxo-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate
CID 4980070
3-cyclobutyl-7-nitro-2-sulfanylidene-1H-quinazolin-4-one
CID 114588883

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one?
The IUPAC name of 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one (CID 54711814) is 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one?
The canonical SMILES for 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one is CC(=O)c1c(O)c2cc([N+](=O)[O-])ccc2n(C2CC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one?
The InChIKey is CBQGJCLYWHRYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-7(17)12-13(18)10-6-9(16(20)21)4-5-11(10)15(14(12)19)8-2-3-8/h4-6,8,18H,2-3H2,1H3.
What are the key properties of 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one?
3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one has a molecular weight of 288.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopropyl-4-hydroxy-6-nitroquinolin-2-one is sourced from PubChem (CID 54711814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).