7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione

C16H11ClN2O4 — CID 11616901

IUPAC7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione
SMILESCC1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)ccc2C1=O
InChIInChI=1S/C16H11ClN2O4/c1-16(9-2-5-11(6-3-9)19(22)23)14(20)12-7-4-10(17)8-13(12)18-15(16)21/h2-8H,1H3,(H,18,21)
InChIKeyVXWWKNIPIKTJAE-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.34
Rot. Bonds2

About 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione

7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione (PubChem CID 11616901) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione
PubChem CID11616901
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC Name7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione
SMILESCC1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)ccc2C1=O
InChIInChI=1S/C16H11ClN2O4/c1-16(9-2-5-11(6-3-9)19(22)23)14(20)12-7-4-10(17)8-13(12)18-15(16)21/h2-8H,1H3,(H,18,21)
InChIKeyVXWWKNIPIKTJAE-UHFFFAOYSA-N
XLogP3.34
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-6-chloro-3-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1H-indol-2-one
CID 21370109
1-chloro-4-nitrobenzene;ethane
CID 90737802
3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
CID 11560362
CID 70381437
CID 70381437
3-(4-chlorophenyl)-3,5-dimethyl-2-[(4-nitrophenyl)methyl]isoindol-1-one
CID 134463034
8-chloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 23354292
5-chloro-3,3-bis(2-methyl-5-nitro-1H-indol-3-yl)-1H-indol-2-one
CID 70681024
(5S)-3-[(2,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180278
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
2,3-dichloro-6-nitronaphthalene-1,4-dione
CID 12883018
(5R)-5-(4-chlorophenyl)-5-methyl-2-(4-nitrophenyl)-1,2,4-triazolidine-3-thione
CID 100598432
2-(5-chloro-2-fluorophenyl)-5-nitrobenzonitrile
CID 171663264

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione?
The IUPAC name of 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione (CID 11616901) is 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione?
The canonical SMILES for 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione is CC1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)ccc2C1=O.
What is the InChIKey of 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione?
The InChIKey is VXWWKNIPIKTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c1-16(9-2-5-11(6-3-9)19(22)23)14(20)12-7-4-10(17)8-13(12)18-15(16)21/h2-8H,1H3,(H,18,21).
What are the key properties of 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione?
7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione has a molecular weight of 330.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione is sourced from PubChem (CID 11616901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).