(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one

C22H27NO2 — CID 102523412

IUPAC(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(CN2C(=O)C[C@@H](C(C)C)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C22H27NO2/c1-14(2)19-12-21(24)23(13-17-6-8-18(25-5)9-7-17)22-16(4)10-15(3)11-20(19)22/h6-11,14,19H,12-13H2,1-5H3/t19-/m0/s1
InChIKeyQMTWYQZAHKOCBH-IBGZPJMESA-N
MW337.46 g/mol
LogP4.99
Rot. Bonds4

About (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one

(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 102523412) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID102523412
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(CN2C(=O)C[C@@H](C(C)C)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C22H27NO2/c1-14(2)19-12-21(24)23(13-17-6-8-18(25-5)9-7-17)22-16(4)10-15(3)11-20(19)22/h6-11,14,19H,12-13H2,1-5H3/t19-/m0/s1
InChIKeyQMTWYQZAHKOCBH-IBGZPJMESA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

tert-butyl 2-[(4R)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
CID 102523400
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
tert-butyl 2-[(4S)-8-bromo-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
CID 44521587
1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 98176099
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
2-(4-methoxyphenyl)-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 113076293
(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one (CID 102523412) is (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one is COc1ccc(CN2C(=O)C[C@@H](C(C)C)c3cc(C)cc(C)c32)cc1.
What is the InChIKey of (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is QMTWYQZAHKOCBH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27NO2/c1-14(2)19-12-21(24)23(13-17-6-8-18(25-5)9-7-17)22-16(4)10-15(3)11-20(19)22/h6-11,14,19H,12-13H2,1-5H3/t19-/m0/s1.
What are the key properties of (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one?
(4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 337.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 102523412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).