3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one

C19H18N2O — CID 936422

IUPAC3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc(C)c(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C19H18N2O/c1-12-5-7-17-15(8-12)10-16(19(22)21-17)11-20-18-9-13(2)4-6-14(18)3/h4-11H,1-3H3,(H,21,22)/b20-11+
InChIKeyLJELRQYBINMICV-RGVLZGJSSA-N
MW290.37 g/mol
LogP4.20
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one

3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one (PubChem CID 936422) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
PubChem CID936422
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc(C)c(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C19H18N2O/c1-12-5-7-17-15(8-12)10-16(19(22)21-17)11-20-18-9-13(2)4-6-14(18)3/h4-11H,1-3H3,(H,21,22)/b20-11+
InChIKeyLJELRQYBINMICV-RGVLZGJSSA-N
XLogP4.20
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one (CID 936422) is 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one is Cc1ccc(C)c(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is LJELRQYBINMICV-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-5-7-17-15(8-12)10-16(19(22)21-17)11-20-18-9-13(2)4-6-14(18)3/h4-11H,1-3H3,(H,21,22)/b20-11+.
What are the key properties of 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one?
3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 290.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 936422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).