(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one

C19H22N2O2 — CID 703738

IUPAC(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)CC)cc1
InChIInChI=1S/C19H22N2O2/c1-4-19(3)20-17-9-7-6-8-16(17)18(22)21(19)14-10-12-15(13-11-14)23-5-2/h6-13,20H,4-5H2,1-3H3/t19-/m1/s1
InChIKeyQSHHLIIVGYYBRG-LJQANCHMSA-N
MW310.40 g/mol
LogP4.28
Rot. Bonds4

About (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one

(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one (PubChem CID 703738) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
PubChem CID703738
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)CC)cc1
InChIInChI=1S/C19H22N2O2/c1-4-19(3)20-17-9-7-6-8-16(17)18(22)21(19)14-10-12-15(13-11-14)23-5-2/h6-13,20H,4-5H2,1-3H3/t19-/m1/s1
InChIKeyQSHHLIIVGYYBRG-LJQANCHMSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767
(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 919493
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
2-[4-(2-ethoxyethoxy)phenyl]-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777554
2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778423
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
2-(4-ethoxyphenyl)-2-methoxy-1H-indol-3-one
CID 10612963
2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777902
3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779004
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
The IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one (CID 703738) is (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one is CCOc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)CC)cc1.
What is the InChIKey of (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
The InChIKey is QSHHLIIVGYYBRG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-19(3)20-17-9-7-6-8-16(17)18(22)21(19)14-10-12-15(13-11-14)23-5-2/h6-13,20H,4-5H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one has a molecular weight of 310.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 703738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).