(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one

C16H17NO3S — CID 1257780

IUPAC(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](c1sccc1C)CC(=O)N2
InChIInChI=1S/C16H17NO3S/c1-9-4-5-21-16(9)11-7-15(18)17-12-8-14(20-3)13(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyWOHLCMRHDJJFPK-NSHDSACASA-N
MW303.38 g/mol
LogP3.55
Rot. Bonds3

About (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one

(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 1257780) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID1257780
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](c1sccc1C)CC(=O)N2
InChIInChI=1S/C16H17NO3S/c1-9-4-5-21-16(9)11-7-15(18)17-12-8-14(20-3)13(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyWOHLCMRHDJJFPK-NSHDSACASA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(7R)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587083
(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 707556
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 2988534
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556194
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923

Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 1257780) is (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)[C@@H](c1sccc1C)CC(=O)N2.
What is the InChIKey of (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WOHLCMRHDJJFPK-NSHDSACASA-N. The full InChI is InChI=1S/C16H17NO3S/c1-9-4-5-21-16(9)11-7-15(18)17-12-8-14(20-3)13(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 303.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 1257780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).