6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one

C18H16N2O — CID 931634

IUPAC6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
SMILESCc1cccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C18H16N2O/c1-12-4-3-5-16(9-12)19-11-15-10-14-8-13(2)6-7-17(14)20-18(15)21/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyOWFKBQPJQHENNW-YBFXNURJSA-N
MW276.34 g/mol
LogP3.90
Rot. Bonds2

About 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one

6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one (PubChem CID 931634) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
PubChem CID931634
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
SMILESCc1cccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C18H16N2O/c1-12-4-3-5-16(9-12)19-11-15-10-14-8-13(2)6-7-17(14)20-18(15)21/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKeyOWFKBQPJQHENNW-YBFXNURJSA-N
XLogP3.90
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.90
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 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one (CID 931634) is 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one is Cc1cccc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c1.
What is the InChIKey of 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one?
The InChIKey is OWFKBQPJQHENNW-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-4-3-5-16(9-12)19-11-15-10-14-8-13(2)6-7-17(14)20-18(15)21/h3-11H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one?
6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one is sourced from PubChem (CID 931634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).