3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one

C15H8Cl2N2O3 — CID 59833933

IUPAC3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C15H8Cl2N2O3/c16-10-5-6-12(19(21)22)14(17)13(10)9-7-8-3-1-2-4-11(8)18-15(9)20/h1-7H,(H,18,20)
InChIKeyTVPFYXZHELRMQI-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.41
Rot. Bonds2

About 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one

3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one (PubChem CID 59833933) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one
PubChem CID59833933
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C15H8Cl2N2O3/c16-10-5-6-12(19(21)22)14(17)13(10)9-7-8-3-1-2-4-11(8)18-15(9)20/h1-7H,(H,18,20)
InChIKeyTVPFYXZHELRMQI-UHFFFAOYSA-N
XLogP4.41
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 14566226
4-chloro-7-nitro-2-benzofuran-1,3-dione
CID 118197522
4-chloro-7-nitroisoindole-1,3-dione
CID 86197598
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
5,6-dichloro-3-nitro-1H-pyridin-2-one
CID 125483662
3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
CID 10752580
1-chloro-6,7-dimethyl-4-nitroanthracene-9,10-dione
CID 134936639
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
6-chloro-3-(2-chlorophenyl)-1H-quinolin-2-one
CID 175986365
2,3-dinitrohexacene
CID 101108857

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one?
The IUPAC name of 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one (CID 59833933) is 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1c(Cl)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one?
The InChIKey is TVPFYXZHELRMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-10-5-6-12(19(21)22)14(17)13(10)9-7-8-3-1-2-4-11(8)18-15(9)20/h1-7H,(H,18,20).
What are the key properties of 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one?
3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one has a molecular weight of 335.15 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 59833933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).