(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one

C20H19NO4 — CID 95146960

IUPAC(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1O)NC(=O)C[C@@H]2c1oc2ccc(C)cc2c1C
InChIInChI=1S/C20H19NO4/c1-10-4-5-17-12(6-10)11(2)20(25-17)14-8-19(23)21-15-9-16(22)18(24-3)7-13(14)15/h4-7,9,14,22H,8H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyMUDHBVVRSSCPAH-AWEZNQCLSA-N
MW337.38 g/mol
LogP4.24
Rot. Bonds2

About (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95146960) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID95146960
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1O)NC(=O)C[C@@H]2c1oc2ccc(C)cc2c1C
InChIInChI=1S/C20H19NO4/c1-10-4-5-17-12(6-10)11(2)20(25-17)14-8-19(23)21-15-9-16(22)18(24-3)7-13(14)15/h4-7,9,14,22H,8H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyMUDHBVVRSSCPAH-AWEZNQCLSA-N
XLogP4.24
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6,7-dimethoxy-4-(5-methylfuran-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 2988534
4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 75595407
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(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
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054
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-(3-methylthiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 1257780
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
(4R)-7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95120058

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one (CID 95146960) is (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1O)NC(=O)C[C@@H]2c1oc2ccc(C)cc2c1C.
What is the InChIKey of (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MUDHBVVRSSCPAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19NO4/c1-10-4-5-17-12(6-10)11(2)20(25-17)14-8-19(23)21-15-9-16(22)18(24-3)7-13(14)15/h4-7,9,14,22H,8H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-dimethyl-1-benzofuran-2-yl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95146960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).