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

C21H18N2O4S — CID 10430727

IUPAC6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(=O)c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC
InChIInChI=1S/C21H18N2O4S/c1-26-17-7-4-14(10-18(17)27-2)20(25)21-23-16(11-28-21)13-3-6-15-12(9-13)5-8-19(24)22-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,24)
InChIKeyGXJUSZGBRXHIAG-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.94
Rot. Bonds5

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

6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10430727) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10430727
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(=O)c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC
InChIInChI=1S/C21H18N2O4S/c1-26-17-7-4-14(10-18(17)27-2)20(25)21-23-16(11-28-21)13-3-6-15-12(9-13)5-8-19(24)22-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,24)
InChIKeyGXJUSZGBRXHIAG-UHFFFAOYSA-N
XLogP3.94
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
2-(3-Methoxy-4-methylthiophenyl)-4-(3,4-dihydrocarbostyril-6-yl)thiazole
CID 10022798
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10067479
6-[2-(4-methoxy-3-propoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10250038
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10453244
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343481
6-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10249207
6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10409189
[2-(4-Aminophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 25257695
{N}-[4-[({E})-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-6-methyl-thieno[2,3-b]quinoline-2-carboxamide
CID 155519085
{N}-[4-[({E})-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-6-methoxy-thieno[2,3-b]quinoline-2-carboxamide
CID 155529739

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 10430727) is 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C(=O)c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC.
What is the InChIKey of 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GXJUSZGBRXHIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-26-17-7-4-14(10-18(17)27-2)20(25)21-23-16(11-28-21)13-3-6-15-12(9-13)5-8-19(24)22-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,24).
What are the key properties of 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxybenzoyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).