5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

C15H16N2O4S — CID 169412042

IUPAC5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cnsc1)CC(=O)N2
InChIInChI=1S/C15H16N2O4S/c1-19-11-5-10-13(15(21-3)14(11)20-2)9(4-12(18)17-10)8-6-16-22-7-8/h5-7,9H,4H2,1-3H3,(H,17,18)
InChIKeyTXHIOJBEVVQZML-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.64
Rot. Bonds4

About 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169412042) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID169412042
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cnsc1)CC(=O)N2
InChIInChI=1S/C15H16N2O4S/c1-19-11-5-10-13(15(21-3)14(11)20-2)9(4-12(18)17-10)8-6-16-22-7-8/h5-7,9H,4H2,1-3H3,(H,17,18)
InChIKeyTXHIOJBEVVQZML-UHFFFAOYSA-N
XLogP2.64
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
methyl 4-(5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
CID 171387807
4-[1-(4-fluorophenyl)pyrazol-4-yl]-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169414133
5,6,7-trimethoxy-4-(6-methoxy-2-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 170508079
4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 171385412
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
5,6,7-trimethoxy-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122353
(4S)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 1094722
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
(4S)-1,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826258
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 169412042) is 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1cnsc1)CC(=O)N2.
What is the InChIKey of 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TXHIOJBEVVQZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-19-11-5-10-13(15(21-3)14(11)20-2)9(4-12(18)17-10)8-6-16-22-7-8/h5-7,9H,4H2,1-3H3,(H,17,18).
What are the key properties of 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 320.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-(1,2-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169412042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).