2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C18H20N2O — CID 62391065

IUPAC2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1ccccc1-c1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C18H20N2O/c1-4-12-7-5-6-8-13(12)17-19-11-14-15(20-17)9-18(2,3)10-16(14)21/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBMLPHIRLVDWKTL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 62391065) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID62391065
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCc1ccccc1-c1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C18H20N2O/c1-4-12-7-5-6-8-13(12)17-19-11-14-15(20-17)9-18(2,3)10-16(14)21/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBMLPHIRLVDWKTL-UHFFFAOYSA-N
XLogP3.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 62391065) is 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCc1ccccc1-c1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is BMLPHIRLVDWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-12-7-5-6-8-13(12)17-19-11-14-15(20-17)9-18(2,3)10-16(14)21/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 280.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 62391065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).