6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one

C21H24N2O — CID 3176405

IUPAC6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
InChIInChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24)
InChIKeyVHNIDWJMVLSOSW-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.79
Rot. Bonds5

About 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one

6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one (PubChem CID 3176405) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
PubChem CID3176405
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
InChIInChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24)
InChIKeyVHNIDWJMVLSOSW-UHFFFAOYSA-N
XLogP3.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.79
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

4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
Denatonium
CID 15488
6-Methylquinolin-2(1H)-one
CID 12237458
4,8-Dimethyl-2-hydroxyquinoline
CID 220708
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
6-Methyl-7-[(2-methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279049
7-(Benzylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279210
7-(Cyclohexylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279256
6-Methyl-7-(propylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279277
N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 671563
7-Amino-4,8-dimethyl-2(1H)-quinolinone
CID 333984
Denatonium chloride
CID 15487

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one (CID 3176405) is 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one is Cc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1.
What is the InChIKey of 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The InChIKey is VHNIDWJMVLSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24).
What are the key properties of 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3176405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).