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

C28H27N3O3S — CID 26223673

IUPAC3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)CSc2ccccc2)C3)c2ccc(C)nc12
InChIInChI=1S/C28H27N3O3S/c1-18-9-10-22-21(11-12-25(34-3)27(22)29-18)23-15-19-16-31(14-13-24(19)30(2)28(23)33)26(32)17-35-20-7-5-4-6-8-20/h4-12,15H,13-14,16-17H2,1-3H3
InChIKeyRKIVTKRRRQNUBD-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.59
Rot. Bonds5

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

3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26223673) has the molecular formula C28H27N3O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26223673
Molecular FormulaC28H27N3O3S
Molecular Weight485.61 g/mol
Exact Mass485.18
IUPAC Name3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)CSc2ccccc2)C3)c2ccc(C)nc12
InChIInChI=1S/C28H27N3O3S/c1-18-9-10-22-21(11-12-25(34-3)27(22)29-18)23-15-19-16-31(14-13-24(19)30(2)28(23)33)26(32)17-35-20-7-5-4-6-8-20/h4-12,15H,13-14,16-17H2,1-3H3
InChIKeyRKIVTKRRRQNUBD-UHFFFAOYSA-N
XLogP4.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26227898
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
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 55399852
3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26225884
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-2-ylsulfanylethanone
CID 984030
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-8-methoxy-3,5-dimethylpyrimido[5,4-b]indol-4-one
CID 50834580
2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 75398229
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
CID 46607962
1-methyl-6-(4-methylthiadiazole-5-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26142459
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-(5-methylfuran-2-yl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1288482
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-one
CID 78578303
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2466012

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26223673) is 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-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-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)CSc2ccccc2)C3)c2ccc(C)nc12.
What is the InChIKey of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is RKIVTKRRRQNUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S/c1-18-9-10-22-21(11-12-25(34-3)27(22)29-18)23-15-19-16-31(14-13-24(19)30(2)28(23)33)26(32)17-35-20-7-5-4-6-8-20/h4-12,15H,13-14,16-17H2,1-3H3.
What are the key properties of 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 485.61 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-2-methylquinolin-5-yl)-1-methyl-6-(2-phenylsulfanylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26223673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).