6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one

C18H20N2O — CID 46232574

IUPAC6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(CCN2Cc3cc(C)ccc3NC2=O)cc1
InChIInChI=1S/C18H20N2O/c1-13-3-6-15(7-4-13)9-10-20-12-16-11-14(2)5-8-17(16)19-18(20)21/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeySJNRBJXNLYRJLV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.89
Rot. Bonds3

About 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one

6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one (PubChem CID 46232574) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
PubChem CID46232574
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(CCN2Cc3cc(C)ccc3NC2=O)cc1
InChIInChI=1S/C18H20N2O/c1-13-3-6-15(7-4-13)9-10-20-12-16-11-14(2)5-8-17(16)19-18(20)21/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeySJNRBJXNLYRJLV-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one (CID 46232574) is 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one is Cc1ccc(CCN2Cc3cc(C)ccc3NC2=O)cc1.
What is the InChIKey of 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is SJNRBJXNLYRJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-3-6-15(7-4-13)9-10-20-12-16-11-14(2)5-8-17(16)19-18(20)21/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(4-methylphenyl)ethyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 46232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).