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

C18H20N2O — CID 29102767

IUPAC(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
SMILESCC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C18H20N2O/c1-4-18(3)19-16-8-6-5-7-15(16)17(21)20(18)14-11-9-13(2)10-12-14/h5-12,19H,4H2,1-3H3/t18-/m0/s1
InChIKeyKXXKGCMLFPFBGA-SFHVURJKSA-N
MW280.37 g/mol
LogP4.19
Rot. Bonds2

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

(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one (PubChem CID 29102767) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
PubChem CID29102767
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
SMILESCC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C18H20N2O/c1-4-18(3)19-16-8-6-5-7-15(16)17(21)20(18)14-11-9-13(2)10-12-14/h5-12,19H,4H2,1-3H3/t18-/m0/s1
InChIKeyKXXKGCMLFPFBGA-SFHVURJKSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 919493
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 2501132
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282067
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one
CID 54778507
2-butyl-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777782
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one (CID 29102767) is (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one is CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)cc1.
What is the InChIKey of (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
The InChIKey is KXXKGCMLFPFBGA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-18(3)19-16-8-6-5-7-15(16)17(21)20(18)14-11-9-13(2)10-12-14/h5-12,19H,4H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one has a molecular weight of 280.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 29102767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).