3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C24H22N4O3S — CID 26226095

IUPAC3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cscn2)C3)c2ccc(C)nc12
InChIInChI=1S/C24H22N4O3S/c1-14-4-5-17-16(6-7-21(31-3)22(17)26-14)18-10-15-11-28(24(30)19-12-32-13-25-19)9-8-20(15)27(2)23(18)29/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyFDYPRNHHRGFYLU-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.57
Rot. Bonds3

About 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26226095) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26226095
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cscn2)C3)c2ccc(C)nc12
InChIInChI=1S/C24H22N4O3S/c1-14-4-5-17-16(6-7-21(31-3)22(17)26-14)18-10-15-11-28(24(30)19-12-32-13-25-19)9-8-20(15)27(2)23(18)29/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyFDYPRNHHRGFYLU-UHFFFAOYSA-N
XLogP3.57
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26226095) is 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cscn2)C3)c2ccc(C)nc12.
What is the InChIKey of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is FDYPRNHHRGFYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-14-4-5-17-16(6-7-21(31-3)22(17)26-14)18-10-15-11-28(24(30)19-12-32-13-25-19)9-8-20(15)27(2)23(18)29/h4-7,10,12-13H,8-9,11H2,1-3H3.
What are the key properties of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 446.53 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26226095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).