7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride

C16H9Cl2NO2 — CID 10495745

IUPAC7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H9Cl2NO2/c17-10-6-7-11-12(8-10)19-16(21)13(14(11)15(18)20)9-4-2-1-3-5-9/h1-8H,(H,19,21)
InChIKeyAAJDECGQEYZRLA-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.23
Rot. Bonds2

About 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride

7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride (PubChem CID 10495745) has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride
PubChem CID10495745
Molecular FormulaC16H9Cl2NO2
Molecular Weight318.16 g/mol
Exact Mass317.00
IUPAC Name7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride
SMILESO=C(Cl)c1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H9Cl2NO2/c17-10-6-7-11-12(8-10)19-16(21)13(14(11)15(18)20)9-4-2-1-3-5-9/h1-8H,(H,19,21)
InChIKeyAAJDECGQEYZRLA-UHFFFAOYSA-N
XLogP4.23
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride?
The IUPAC name of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride (CID 10495745) is 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride.
What is the SMILES notation for 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride?
The canonical SMILES for 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride is O=C(Cl)c1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride?
The InChIKey is AAJDECGQEYZRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO2/c17-10-6-7-11-12(8-10)19-16(21)13(14(11)15(18)20)9-4-2-1-3-5-9/h1-8H,(H,19,21).
What are the key properties of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride?
7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride has a molecular weight of 318.16 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carbonyl chloride is sourced from PubChem (CID 10495745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).