3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride

C17H17ClN2O — CID 165362442

IUPAC3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
SMILESCCc1ccc(-n2c(C)nc3ccccc3c2=O)cc1.Cl
InChIInChI=1S/C17H16N2O.ClH/c1-3-13-8-10-14(11-9-13)19-12(2)18-16-7-5-4-6-15(16)17(19)20;/h4-11H,3H2,1-2H3;1H
InChIKeySHJUHXLJJSWLEN-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.68
Rot. Bonds2

About 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride

3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride (PubChem CID 165362442) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
PubChem CID165362442
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
SMILESCCc1ccc(-n2c(C)nc3ccccc3c2=O)cc1.Cl
InChIInChI=1S/C17H16N2O.ClH/c1-3-13-8-10-14(11-9-13)19-12(2)18-16-7-5-4-6-15(16)17(19)20;/h4-11H,3H2,1-2H3;1H
InChIKeySHJUHXLJJSWLEN-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
3-(4-ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2605126
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one
CID 154799020
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(4-ethylphenyl)quinazolin-4-one
CID 16534195

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride (CID 165362442) is 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride is CCc1ccc(-n2c(C)nc3ccccc3c2=O)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride?
The InChIKey is SHJUHXLJJSWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.ClH/c1-3-13-8-10-14(11-9-13)19-12(2)18-16-7-5-4-6-15(16)17(19)20;/h4-11H,3H2,1-2H3;1H.
What are the key properties of 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride?
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 165362442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).