6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one

C15H9ClN2O3 — CID 627227

IUPAC6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H9ClN2O3/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18(20)21)15(19)17-12/h1-8H,(H,17,19)
InChIKeyXLJMQSLOEBFAKA-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.76
Rot. Bonds2

About 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one

6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one (PubChem CID 627227) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one
PubChem CID627227
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H9ClN2O3/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18(20)21)15(19)17-12/h1-8H,(H,17,19)
InChIKeyXLJMQSLOEBFAKA-UHFFFAOYSA-N
XLogP3.76
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one (CID 627227) is 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one?
The InChIKey is XLJMQSLOEBFAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18(20)21)15(19)17-12/h1-8H,(H,17,19).
What are the key properties of 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one?
6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one has a molecular weight of 300.70 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 627227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).