7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid

C16H10ClNO3 — CID 10661904

IUPAC7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-15(19)13(14(11)16(20)21)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H,20,21)
InChIKeyDRGYXCZRNMIMFN-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.55
Rot. Bonds2

About 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid

7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid (PubChem CID 10661904) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid
PubChem CID10661904
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-15(19)13(14(11)16(20)21)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H,20,21)
InChIKeyDRGYXCZRNMIMFN-UHFFFAOYSA-N
XLogP3.55
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid (CID 10661904) is 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid is O=C(O)c1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid?
The InChIKey is DRGYXCZRNMIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-15(19)13(14(11)16(20)21)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid?
7-chloro-2-oxo-3-phenyl-1H-quinoline-4-carboxylic acid has a molecular weight of 299.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 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-carboxylic acid is sourced from PubChem (CID 10661904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).