6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C20H19ClN2O3S — CID 45261692

IUPAC6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1.Cl
InChIInChI=1S/C20H18N2O3S.ClH/c1-24-14-5-6-15(18(10-14)25-2)20-22-17(11-26-20)13-3-7-16-12(9-13)4-8-19(23)21-16;/h3,5-7,9-11H,4,8H2,1-2H3,(H,21,23);1H
InChIKeyOAMCUQJEOLTJER-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.80
Rot. Bonds4

About 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 45261692) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID45261692
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1.Cl
InChIInChI=1S/C20H18N2O3S.ClH/c1-24-14-5-6-15(18(10-14)25-2)20-22-17(11-26-20)13-3-7-16-12(9-13)4-8-19(23)21-16;/h3,5-7,9-11H,4,8H2,1-2H3,(H,21,23);1H
InChIKeyOAMCUQJEOLTJER-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride 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-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 45261692) is 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1.Cl.
What is the InChIKey of 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is OAMCUQJEOLTJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S.ClH/c1-24-14-5-6-15(18(10-14)25-2)20-22-17(11-26-20)13-3-7-16-12(9-13)4-8-19(23)21-16;/h3,5-7,9-11H,4,8H2,1-2H3,(H,21,23);1H.
What are the key properties of 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 402.90 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 45261692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).