2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one

C17H15ClN2O — CID 61064059

IUPAC2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
SMILESCCc1ccccc1-n1c(CCl)nc2ccccc2c1=O
InChIInChI=1S/C17H15ClN2O/c1-2-12-7-3-6-10-15(12)20-16(11-18)19-14-9-5-4-8-13(14)17(20)21/h3-10H,2,11H2,1H3
InChIKeyDHKKVVPAZWGZKG-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.69
Rot. Bonds3

About 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one

2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one (PubChem CID 61064059) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
PubChem CID61064059
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
SMILESCCc1ccccc1-n1c(CCl)nc2ccccc2c1=O
InChIInChI=1S/C17H15ClN2O/c1-2-12-7-3-6-10-15(12)20-16(11-18)19-14-9-5-4-8-13(14)17(20)21/h3-10H,2,11H2,1H3
InChIKeyDHKKVVPAZWGZKG-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81135805
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(chloromethyl)-1-(2-ethylphenyl)-6,7-difluorobenzimidazole
CID 63547054
2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 61064933
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
2-methyl-3-[2-(1,1,2,2,2-pentadeuterioethyl)phenyl]quinazolin-4-one
CID 71316434
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
2-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753
2-(chloromethyl)-3-(2-ethoxyphenyl)pyrido[3,4-d]pyrimidin-4-one
CID 89347691
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]acetaldehyde
CID 22990475
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one?
The IUPAC name of 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one (CID 61064059) is 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one is CCc1ccccc1-n1c(CCl)nc2ccccc2c1=O.
What is the InChIKey of 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one?
The InChIKey is DHKKVVPAZWGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-12-7-3-6-10-15(12)20-16(11-18)19-14-9-5-4-8-13(14)17(20)21/h3-10H,2,11H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one?
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one has a molecular weight of 298.77 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one is sourced from PubChem (CID 61064059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).