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

C15H15NO3S — CID 707556

IUPAC(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@H](c1cccs1)CC(=O)N2
InChIInChI=1S/C15H15NO3S/c1-18-12-6-9-10(14-4-3-5-20-14)7-15(17)16-11(9)8-13(12)19-2/h3-6,8,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyWJTOHGOOLPRBHX-SNVBAGLBSA-N
MW289.36 g/mol
LogP3.24
Rot. Bonds3

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

(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 707556) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID707556
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@H](c1cccs1)CC(=O)N2
InChIInChI=1S/C15H15NO3S/c1-18-12-6-9-10(14-4-3-5-20-14)7-15(17)16-11(9)8-13(12)19-2/h3-6,8,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyWJTOHGOOLPRBHX-SNVBAGLBSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(4S)-6,7-dimethoxy-4-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 1257780
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
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
(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
(7R)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587083
4-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312554
(3S,9S)-6,7-dimethoxy-3,9-dithiophen-2-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 42549449

Frequently Asked Questions

What is the IUPAC name of (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one (CID 707556) is (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)[C@H](c1cccs1)CC(=O)N2.
What is the InChIKey of (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WJTOHGOOLPRBHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-18-12-6-9-10(14-4-3-5-20-14)7-15(17)16-11(9)8-13(12)19-2/h3-6,8,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one?
(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 707556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).