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

C18H19ClN2O — CID 919493

IUPAC(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O/c1-4-18(3)20-16-8-6-5-7-14(16)17(22)21(18)13-10-9-12(2)15(19)11-13/h5-11,20H,4H2,1-3H3/t18-/m0/s1
InChIKeyLPHLLKYLRFMLEH-SFHVURJKSA-N
MW314.82 g/mol
LogP4.85
Rot. Bonds2

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

(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one (PubChem CID 919493) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
PubChem CID919493
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
SMILESCC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O/c1-4-18(3)20-16-8-6-5-7-14(16)17(22)21(18)13-10-9-12(2)15(19)11-13/h5-11,20H,4H2,1-3H3/t18-/m0/s1
InChIKeyLPHLLKYLRFMLEH-SFHVURJKSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
3-(3-chloro-4-methylphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carbonitrile
CID 6423102
(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
(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 2501132
(6S)-6-ethyl-3,6-dimethyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98282067
(1S,2R,6S,7R)-4-(3-chloro-4-methylphenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 2244496
2-(4-chlorophenyl)-3-ethyl-2-methyl-1H-quinazolin-4-one
CID 54778170
2-butyl-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777782
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
(2R)-3-(3-chloro-4-methylphenyl)-2-(1,2-dihydroacenaphthylen-5-yl)-1,2-dihydroquinazolin-4-one
CID 26516804

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
The IUPAC name of (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one (CID 919493) is (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one is CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)c(Cl)c1.
What is the InChIKey of (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
The InChIKey is LPHLLKYLRFMLEH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-4-18(3)20-16-8-6-5-7-14(16)17(22)21(18)13-10-9-12(2)15(19)11-13/h5-11,20H,4H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one?
(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one has a molecular weight of 314.82 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 919493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).