3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one

C20H18N2O4 — CID 95138160

IUPAC3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c([C@H]3CC(=O)Nc4cc(O)c(C)cc43)cc2c1
InChIInChI=1S/C20H18N2O4/c1-10-5-14-13(8-19(24)21-17(14)9-18(10)23)15-7-11-6-12(26-2)3-4-16(11)22-20(15)25/h3-7,9,13,23H,8H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyCMFXDKOWCJYKJO-ZDUSSCGKSA-N
MW350.37 g/mol
LogP3.02
Rot. Bonds2

About 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one

3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one (PubChem CID 95138160) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
PubChem CID95138160
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c([C@H]3CC(=O)Nc4cc(O)c(C)cc43)cc2c1
InChIInChI=1S/C20H18N2O4/c1-10-5-14-13(8-19(24)21-17(14)9-18(10)23)15-7-11-6-12(26-2)3-4-16(11)22-20(15)25/h3-7,9,13,23H,8H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyCMFXDKOWCJYKJO-ZDUSSCGKSA-N
XLogP3.02
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95120058
ethyl 2-[(4R)-4-(6-methoxy-2-oxo-1H-quinolin-3-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887329
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
6-methoxy-3-piperidin-4-yl-1H-quinolin-2-one
CID 58181102
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958514
ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 95122995
7-hydroxy-6-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170507807
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2984139
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one (CID 95138160) is 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Nc4cc(O)c(C)cc43)cc2c1.
What is the InChIKey of 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is CMFXDKOWCJYKJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-10-5-14-13(8-19(24)21-17(14)9-18(10)23)15-7-11-6-12(26-2)3-4-16(11)22-20(15)25/h3-7,9,13,23H,8H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one?
3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 350.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 95138160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).