1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone

C16H11ClN2O — CID 11140584

IUPAC1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
SMILESO=C(Cc1ccnc2ccccc12)c1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN2O/c17-12-5-6-15(19-10-12)16(20)9-11-7-8-18-14-4-2-1-3-13(11)14/h1-8,10H,9H2
InChIKeySYRAOCAJAWWOCY-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.71
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone

1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone (PubChem CID 11140584) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
PubChem CID11140584
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
SMILESO=C(Cc1ccnc2ccccc12)c1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN2O/c17-12-5-6-15(19-10-12)16(20)9-11-7-8-18-14-4-2-1-3-13(11)14/h1-8,10H,9H2
InChIKeySYRAOCAJAWWOCY-UHFFFAOYSA-N
XLogP3.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanone
CID 105109077
2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
CID 86346491
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone (CID 11140584) is 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone is O=C(Cc1ccnc2ccccc12)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone?
The InChIKey is SYRAOCAJAWWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-12-5-6-15(19-10-12)16(20)9-11-7-8-18-14-4-2-1-3-13(11)14/h1-8,10H,9H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone?
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone has a molecular weight of 282.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 11140584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).