3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one

C20H22N2O2 — CID 101403240

IUPAC3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
SMILESCOc1ccc(CN(C)Cc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-21(13-15-8-10-18(24-3)11-9-15)14-17-12-16-6-4-5-7-19(16)22(2)20(17)23/h4-12H,13-14H2,1-3H3
InChIKeyPLXWKAYSKPEDQH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds5

About 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one

3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one (PubChem CID 101403240) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
PubChem CID101403240
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one
SMILESCOc1ccc(CN(C)Cc2cc3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-21(13-15-8-10-18(24-3)11-9-15)14-17-12-16-6-4-5-7-19(16)22(2)20(17)23/h4-12H,13-14H2,1-3H3
InChIKeyPLXWKAYSKPEDQH-UHFFFAOYSA-N
XLogP3.18
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
CID 11406181
1-methyl-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea
CID 42536974
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one (CID 101403240) is 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one is COc1ccc(CN(C)Cc2cc3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one?
The InChIKey is PLXWKAYSKPEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21(13-15-8-10-18(24-3)11-9-15)14-17-12-16-6-4-5-7-19(16)22(2)20(17)23/h4-12H,13-14H2,1-3H3.
What are the key properties of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one?
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 101403240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).