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

C10H9ClN2O — CID 4518743

IUPAC3-(2-chloroethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCl
InChIInChI=1S/C10H9ClN2O/c11-5-6-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2
InChIKeyNJCVGJQMNUHBCF-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.64
Rot. Bonds2

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

3-(2-chloroethyl)quinazolin-4-one (PubChem CID 4518743) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-(2-chloroethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chloroethyl)quinazolin-4-one
PubChem CID4518743
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-(2-chloroethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCl
InChIInChI=1S/C10H9ClN2O/c11-5-6-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2
InChIKeyNJCVGJQMNUHBCF-UHFFFAOYSA-N
XLogP1.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.64
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-propylquinazolin-4-one
CID 529124
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-prop-2-ynylquinazolin-4-one
CID 603496
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
methyl-[2-(4-oxoquinazolin-3-yl)ethyl]-dipropylazanium
CID 21150141
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
3-[[(1R)-2,2-dichlorocyclopropyl]methyl]quinazolin-4-one
CID 9138172
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)quinazolin-4-one?
The IUPAC name of 3-(2-chloroethyl)quinazolin-4-one (CID 4518743) is 3-(2-chloroethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-chloroethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-chloroethyl)quinazolin-4-one is O=c1c2ccccc2ncn1CCCl.
What is the InChIKey of 3-(2-chloroethyl)quinazolin-4-one?
The InChIKey is NJCVGJQMNUHBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-5-6-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2.
What are the key properties of 3-(2-chloroethyl)quinazolin-4-one?
3-(2-chloroethyl)quinazolin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)quinazolin-4-one is sourced from PubChem (CID 4518743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).