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

C20H22N2O — CID 3176403

IUPAC7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1cccc(CCNCc2cc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C20H22N2O/c1-14-4-3-5-16(10-14)8-9-21-13-18-12-17-7-6-15(2)11-19(17)22-20(18)23/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,23)
InChIKeyJEFYXWZCQQBXPH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.48
Rot. Bonds5

About 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one

7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one (PubChem CID 3176403) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
PubChem CID3176403
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
SMILESCc1cccc(CCNCc2cc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C20H22N2O/c1-14-4-3-5-16(10-14)8-9-21-13-18-12-17-7-6-15(2)11-19(17)22-20(18)23/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,23)
InChIKeyJEFYXWZCQQBXPH-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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one (CID 3176403) is 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one is Cc1cccc(CCNCc2cc3ccc(C)cc3[nH]c2=O)c1.
What is the InChIKey of 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
The InChIKey is JEFYXWZCQQBXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-4-3-5-16(10-14)8-9-21-13-18-12-17-7-6-15(2)11-19(17)22-20(18)23/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,23).
What are the key properties of 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one?
7-methyl-3-[[2-(3-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 7-methyl-3-[[2-(3-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3176403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).