(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C16H15NO3 — CID 95166951

IUPAC(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3cc(O)ccc32)cc1
InChIInChI=1S/C16H15NO3/c1-20-12-5-2-10(3-6-12)14-9-16(19)17-15-8-11(18)4-7-13(14)15/h2-8,14,18H,9H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyASRBYAOVHOZWHJ-AWEZNQCLSA-N
MW269.30 g/mol
LogP2.87
Rot. Bonds2

About (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95166951) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95166951
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)Nc3cc(O)ccc32)cc1
InChIInChI=1S/C16H15NO3/c1-20-12-5-2-10(3-6-12)14-9-16(19)17-15-8-11(18)4-7-13(14)15/h2-8,14,18H,9H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyASRBYAOVHOZWHJ-AWEZNQCLSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709
(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 86325180
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
(4S)-4-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 95130650
(4R)-4-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135850580
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231

Frequently Asked Questions

What is the IUPAC name of (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 95166951) is (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is COc1ccc([C@@H]2CC(=O)Nc3cc(O)ccc32)cc1.
What is the InChIKey of (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ASRBYAOVHOZWHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-12-5-2-10(3-6-12)14-9-16(19)17-15-8-11(18)4-7-13(14)15/h2-8,14,18H,9H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95166951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).