1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one

C20H21NO2 — CID 71514150

IUPAC1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
SMILESCOc1ccc(C2=C(C)N(Cc3ccccc3)CCC2=O)cc1
InChIInChI=1S/C20H21NO2/c1-15-20(17-8-10-18(23-2)11-9-17)19(22)12-13-21(15)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyQCDABCLCESYVQN-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.90
Rot. Bonds4

About 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one

1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one (PubChem CID 71514150) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
PubChem CID71514150
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
SMILESCOc1ccc(C2=C(C)N(Cc3ccccc3)CCC2=O)cc1
InChIInChI=1S/C20H21NO2/c1-15-20(17-8-10-18(23-2)11-9-17)19(22)12-13-21(15)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyQCDABCLCESYVQN-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-(4-methoxyphenyl)-4-methylsulfanyl-1H-2-benzazepin-3-one
CID 169084166
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
CID 141397576
1-benzyl-5-methyl-2,3-dihydropyrrole-4-carbaldehyde
CID 11557490
1-[(4-methoxyphenyl)methyl]-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 11439021
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 54748179
6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 174354616
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 56588373
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one (CID 71514150) is 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one is COc1ccc(C2=C(C)N(Cc3ccccc3)CCC2=O)cc1.
What is the InChIKey of 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one?
The InChIKey is QCDABCLCESYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-20(17-8-10-18(23-2)11-9-17)19(22)12-13-21(15)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one?
1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one has a molecular weight of 307.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 71514150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).