2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one

C14H15ClN2O — CID 62409793

IUPAC2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
SMILESCC(Cl)c1nc2ccccc2c(=O)n1C1CC1C
InChIInChI=1S/C14H15ClN2O/c1-8-7-12(8)17-13(9(2)15)16-11-6-4-3-5-10(11)14(17)18/h3-6,8-9,12H,7H2,1-2H3
InChIKeyORZPQFXGJTZMEK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.28
Rot. Bonds2

About 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one

2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one (PubChem CID 62409793) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
PubChem CID62409793
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
SMILESCC(Cl)c1nc2ccccc2c(=O)n1C1CC1C
InChIInChI=1S/C14H15ClN2O/c1-8-7-12(8)17-13(9(2)15)16-11-6-4-3-5-10(11)14(17)18/h3-6,8-9,12H,7H2,1-2H3
InChIKeyORZPQFXGJTZMEK-UHFFFAOYSA-N
XLogP3.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.28
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

2-(1-chloropropyl)-3-(2-methylcyclopentyl)quinazolin-4-one
CID 63281843
2-(1-chloroethyl)-3-(oxan-3-yl)quinazolin-4-one
CID 63361358
2-(1-chloroethyl)-3-(2,3,3-trimethylbutyl)quinazolin-4-one
CID 83145007
2-(1-chloroethyl)-3-(2-methoxypropyl)quinazolin-4-one
CID 102700303
2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 43666537
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
2-(1-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104719632
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)quinazolin-4-one
CID 104765099
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 66110630
2-(1-chloroethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 63281185
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
2-(1-chloroethyl)-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 62058262

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one?
The IUPAC name of 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one (CID 62409793) is 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one?
The canonical SMILES for 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one is CC(Cl)c1nc2ccccc2c(=O)n1C1CC1C.
What is the InChIKey of 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one?
The InChIKey is ORZPQFXGJTZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-8-7-12(8)17-13(9(2)15)16-11-6-4-3-5-10(11)14(17)18/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one?
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one has a molecular weight of 262.74 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one is sourced from PubChem (CID 62409793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).