4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one

C16H11ClN2O3 — CID 701941

IUPAC4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one
SMILESCn1c(=O)c(-c2ccccc2[N+](=O)[O-])c(Cl)c2ccccc21
InChIInChI=1S/C16H11ClN2O3/c1-18-12-8-4-3-7-11(12)15(17)14(16(18)20)10-6-2-5-9-13(10)19(21)22/h2-9H,1H3
InChIKeyAFHKHYMAIYNQGO-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one

4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one (PubChem CID 701941) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one
PubChem CID701941
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one
SMILESCn1c(=O)c(-c2ccccc2[N+](=O)[O-])c(Cl)c2ccccc21
InChIInChI=1S/C16H11ClN2O3/c1-18-12-8-4-3-7-11(12)15(17)14(16(18)20)10-6-2-5-9-13(10)19(21)22/h2-9H,1H3
InChIKeyAFHKHYMAIYNQGO-UHFFFAOYSA-N
XLogP3.77
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.77
H-Bond Donors ≤ 50
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

4-Chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one
CID 701939
1-(4-Chloro-3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 711286
4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
CID 800048
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 1344401
(3Z)-1-benzyl-3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]indol-2-one
CID 122182270
(3E)-1-benzyl-3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]indol-2-one
CID 122182271
4-Chloro-3-nitro-1-phenyl-1,2-dihydroquinolin-2-one
CID 736916
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 1122214
2-(2-Nitro-phenyl)-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 10522997
(3E)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one
CID 11631766
(3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 122182259
(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one
CID 122182267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one?
The IUPAC name of 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one (CID 701941) is 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one.
What is the SMILES notation for 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one?
The canonical SMILES for 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one is Cn1c(=O)c(-c2ccccc2[N+](=O)[O-])c(Cl)c2ccccc21.
What is the InChIKey of 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one?
The InChIKey is AFHKHYMAIYNQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-18-12-8-4-3-7-11(12)15(17)14(16(18)20)10-6-2-5-9-13(10)19(21)22/h2-9H,1H3.
What are the key properties of 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one?
4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one has a molecular weight of 314.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(2-nitrophenyl)quinolin-2-one is sourced from PubChem (CID 701941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).