6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

C20H18N2O3S — CID 18707173

IUPAC6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(-c2ncc(-c3ccc4c(c3)CCC(=O)N4)s2)cc1OC
InChIInChI=1S/C20H18N2O3S/c1-24-16-7-4-14(10-17(16)25-2)20-21-11-18(26-20)13-3-6-15-12(9-13)5-8-19(23)22-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,23)
InChIKeySDFFZKVQFZXRFL-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.38
Rot. Bonds4

About 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 18707173) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID18707173
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(-c2ncc(-c3ccc4c(c3)CCC(=O)N4)s2)cc1OC
InChIInChI=1S/C20H18N2O3S/c1-24-16-7-4-14(10-17(16)25-2)20-21-11-18(26-20)13-3-6-15-12(9-13)5-8-19(23)22-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,23)
InChIKeySDFFZKVQFZXRFL-UHFFFAOYSA-N
XLogP4.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (CID 18707173) is 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(-c2ncc(-c3ccc4c(c3)CCC(=O)N4)s2)cc1OC.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SDFFZKVQFZXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-16-7-4-14(10-17(16)25-2)20-21-11-18(26-20)13-3-6-15-12(9-13)5-8-19(23)22-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,23).
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 366.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 18707173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).