3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one

C18H20N2O — CID 11425997

IUPAC3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one
SMILESCCc1cccc(CC)c1N1Cc2ccccc2NC1=O
InChIInChI=1S/C18H20N2O/c1-3-13-9-7-10-14(4-2)17(13)20-12-15-8-5-6-11-16(15)19-18(20)21/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyYKAYEIBOKQAYSU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.36
Rot. Bonds3

About 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one

3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one (PubChem CID 11425997) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one
PubChem CID11425997
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one
SMILESCCc1cccc(CC)c1N1Cc2ccccc2NC1=O
InChIInChI=1S/C18H20N2O/c1-3-13-9-7-10-14(4-2)17(13)20-12-15-8-5-6-11-16(15)19-18(20)21/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyYKAYEIBOKQAYSU-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one (CID 11425997) is 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one is CCc1cccc(CC)c1N1Cc2ccccc2NC1=O.
What is the InChIKey of 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is YKAYEIBOKQAYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-13-9-7-10-14(4-2)17(13)20-12-15-8-5-6-11-16(15)19-18(20)21/h5-11H,3-4,12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one?
3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 11425997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).