(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

C21H25NO3 — CID 7248729

IUPAC(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3c2ccc(C)c3C)c1OC(C)C
InChIInChI=1S/C21H25NO3/c1-12(2)25-21-16(7-6-8-18(21)24-5)17-11-19(23)22-20-14(4)13(3)9-10-15(17)20/h6-10,12,17H,11H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyJZYMJWHCXFDLQM-KRWDZBQOSA-N
MW339.44 g/mol
LogP4.57
Rot. Bonds4

About (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 7248729) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID7248729
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3c2ccc(C)c3C)c1OC(C)C
InChIInChI=1S/C21H25NO3/c1-12(2)25-21-16(7-6-8-18(21)24-5)17-11-19(23)22-20-14(4)13(3)9-10-15(17)20/h6-10,12,17H,11H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyJZYMJWHCXFDLQM-KRWDZBQOSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 6462296
(7S)-3-(benzenesulfonyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061610
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
(7R)-3-(4-fluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061163
(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720291
3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45495956
(7S)-3-(3-fluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061480
(4S)-1-(6-chloropyridazin-3-yl)-4-(3-methoxy-2-propan-2-yloxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940609
(7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972316
(7S)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972315
4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 15989737

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 7248729) is (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is COc1cccc([C@H]2CC(=O)Nc3c2ccc(C)c3C)c1OC(C)C.
What is the InChIKey of (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JZYMJWHCXFDLQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25NO3/c1-12(2)25-21-16(7-6-8-18(21)24-5)17-11-19(23)22-20-14(4)13(3)9-10-15(17)20/h6-10,12,17H,11H2,1-5H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 7248729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).