6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one

C18H11ClN2OS — CID 118677168

IUPAC6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccncc2)c1-c1ccsc1
InChIInChI=1S/C18H11ClN2OS/c19-13-1-2-15-14(9-13)16(11-3-6-20-7-4-11)17(18(22)21-15)12-5-8-23-10-12/h1-10H,(H,21,22)
InChIKeyGCLKUIJRYVEJFJ-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.97
Rot. Bonds2

About 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one

6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one (PubChem CID 118677168) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one
PubChem CID118677168
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccncc2)c1-c1ccsc1
InChIInChI=1S/C18H11ClN2OS/c19-13-1-2-15-14(9-13)16(11-3-6-20-7-4-11)17(18(22)21-15)12-5-8-23-10-12/h1-10H,(H,21,22)
InChIKeyGCLKUIJRYVEJFJ-UHFFFAOYSA-N
XLogP4.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one (CID 118677168) is 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccncc2)c1-c1ccsc1.
What is the InChIKey of 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one?
The InChIKey is GCLKUIJRYVEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-13-1-2-15-14(9-13)16(11-3-6-20-7-4-11)17(18(22)21-15)12-5-8-23-10-12/h1-10H,(H,21,22).
What are the key properties of 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one?
6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one has a molecular weight of 338.82 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one is sourced from PubChem (CID 118677168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).