ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one

C19H22N2O — CID 90844218

IUPACethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCC.CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C17H16N2O.C2H6/c1-3-16-18-15-7-5-4-6-14(15)17(20)19(16)13-10-8-12(2)9-11-13;1-2/h4-11H,3H2,1-2H3;1-2H3
InChIKeyBSTOLWGVPALKJD-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.28
Rot. Bonds2

About ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one

ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 90844218) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Nameethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
PubChem CID90844218
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Nameethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCC.CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C17H16N2O.C2H6/c1-3-16-18-15-7-5-4-6-14(15)17(20)19(16)13-10-8-12(2)9-11-13;1-2/h4-11H,3H2,1-2H3;1-2H3
InChIKeyBSTOLWGVPALKJD-UHFFFAOYSA-N
XLogP4.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1272963
3-(4-fluorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one
CID 24526107
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
2-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracen-9-yl]-5-phenylphenanthridin-6-one
CID 134576259

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one (CID 90844218) is ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one is CC.CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is BSTOLWGVPALKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C2H6/c1-3-16-18-15-7-5-4-6-14(15)17(20)19(16)13-10-8-12(2)9-11-13;1-2/h4-11H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one?
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 294.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 90844218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).