6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid

C15H9ClN2O2 — CID 3789667

IUPAC6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClN2O2/c16-10-1-2-13-11(7-10)12(15(19)20)8-14(18-13)9-3-5-17-6-4-9/h1-8H,(H,19,20)
InChIKeyFUVYVTRILLYVLA-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.65
Rot. Bonds2

About 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid

6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid (PubChem CID 3789667) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
PubChem CID3789667
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H9ClN2O2/c16-10-1-2-13-11(7-10)12(15(19)20)8-14(18-13)9-3-5-17-6-4-9/h1-8H,(H,19,20)
InChIKeyFUVYVTRILLYVLA-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2965627
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(4-tert-butylphenyl)-6-chloroquinoline-4-carbonyl chloride
CID 46779410

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid (CID 3789667) is 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid?
The InChIKey is FUVYVTRILLYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-10-1-2-13-11(7-10)12(15(19)20)8-14(18-13)9-3-5-17-6-4-9/h1-8H,(H,19,20).
What are the key properties of 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid?
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid has a molecular weight of 284.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3789667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).