(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one

C18H20N2O — CID 29102769

IUPAC(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCC[C@@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-18(2)19-16-12-8-7-11-15(16)17(21)20(18)13-14-9-5-4-6-10-14/h4-12,19H,3,13H2,1-2H3/t18-/m0/s1
InChIKeyQSUXQGXDGGMAOR-SFHVURJKSA-N
MW280.37 g/mol
LogP3.88
Rot. Bonds3

About (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one

(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one (PubChem CID 29102769) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
PubChem CID29102769
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCC[C@@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-18(2)19-16-12-8-7-11-15(16)17(21)20(18)13-14-9-5-4-6-10-14/h4-12,19H,3,13H2,1-2H3/t18-/m0/s1
InChIKeyQSUXQGXDGGMAOR-SFHVURJKSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one?
The IUPAC name of (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one (CID 29102769) is (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one is CC[C@@]1(C)Nc2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one?
The InChIKey is QSUXQGXDGGMAOR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-18(2)19-16-12-8-7-11-15(16)17(21)20(18)13-14-9-5-4-6-10-14/h4-12,19H,3,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one?
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one has a molecular weight of 280.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 29102769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).