8-chloro-2-phenylquinoline-5-carboxylic acid

C16H10ClNO2 — CID 624950

IUPAC8-chloro-2-phenylquinoline-5-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c2nc(-c3ccccc3)ccc12
InChIInChI=1S/C16H10ClNO2/c17-13-8-6-12(16(19)20)11-7-9-14(18-15(11)13)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyUHEVUSXBPDWXBU-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.25
Rot. Bonds2

About 8-chloro-2-phenylquinoline-5-carboxylic acid

8-chloro-2-phenylquinoline-5-carboxylic acid (PubChem CID 624950) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 8-chloro-2-phenylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-phenylquinoline-5-carboxylic acid
PubChem CID624950
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name8-chloro-2-phenylquinoline-5-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c2nc(-c3ccccc3)ccc12
InChIInChI=1S/C16H10ClNO2/c17-13-8-6-12(16(19)20)11-7-9-14(18-15(11)13)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyUHEVUSXBPDWXBU-UHFFFAOYSA-N
XLogP4.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
CID 59585000
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
2-chloro-4-phenylbenzoic acid
CID 21487426
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
8-chloro-2-phenyl-1,5-naphthyridine
CID 121309253
2-chloro-5,6,9-triphenyl-1,10-phenanthroline
CID 170019616

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-phenylquinoline-5-carboxylic acid?
The IUPAC name of 8-chloro-2-phenylquinoline-5-carboxylic acid (CID 624950) is 8-chloro-2-phenylquinoline-5-carboxylic acid.
What is the SMILES notation for 8-chloro-2-phenylquinoline-5-carboxylic acid?
The canonical SMILES for 8-chloro-2-phenylquinoline-5-carboxylic acid is O=C(O)c1ccc(Cl)c2nc(-c3ccccc3)ccc12.
What is the InChIKey of 8-chloro-2-phenylquinoline-5-carboxylic acid?
The InChIKey is UHEVUSXBPDWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-13-8-6-12(16(19)20)11-7-9-14(18-15(11)13)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of 8-chloro-2-phenylquinoline-5-carboxylic acid?
8-chloro-2-phenylquinoline-5-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-phenylquinoline-5-carboxylic acid is sourced from PubChem (CID 624950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).