8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one

C20H22N2O — CID 3176401

IUPAC8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccccc1CCNCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C20H22N2O/c1-14-6-3-4-8-16(14)10-11-21-13-18-12-17-9-5-7-15(2)19(17)22-20(18)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyCFVCBACLDWMPBK-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.48
Rot. Bonds5

About 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one

8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one (PubChem CID 3176401) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
PubChem CID3176401
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccccc1CCNCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C20H22N2O/c1-14-6-3-4-8-16(14)10-11-21-13-18-12-17-9-5-7-15(2)19(17)22-20(18)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyCFVCBACLDWMPBK-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
8-ethyl-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 18525062
8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110325820
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one (CID 3176401) is 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one is Cc1ccccc1CCNCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The InChIKey is CFVCBACLDWMPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-6-3-4-8-16(14)10-11-21-13-18-12-17-9-5-7-15(2)19(17)22-20(18)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3176401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).