2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one

C15H17ClN2O2 — CID 61065284

IUPAC2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one
SMILESCC(C1CCCO1)n1c(CCl)nc2ccccc2c1=O
InChIInChI=1S/C15H17ClN2O2/c1-10(13-7-4-8-20-13)18-14(9-16)17-12-6-3-2-5-11(12)15(18)19/h2-3,5-6,10,13H,4,7-9H2,1H3
InChIKeyKFTOOKVVMFTYTK-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.88
Rot. Bonds3

About 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one

2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one (PubChem CID 61065284) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one
PubChem CID61065284
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one
SMILESCC(C1CCCO1)n1c(CCl)nc2ccccc2c1=O
InChIInChI=1S/C15H17ClN2O2/c1-10(13-7-4-8-20-13)18-14(9-16)17-12-6-3-2-5-11(12)15(18)19/h2-3,5-6,10,13H,4,7-9H2,1H3
InChIKeyKFTOOKVVMFTYTK-UHFFFAOYSA-N
XLogP2.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620
2-(chloromethyl)-6-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 55067885
6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79301967
3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 51430057
2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
CID 62200086
2-(chloromethyl)-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 62823318
2-(2-chloroethyl)-3-[1-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104715445
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one?
The IUPAC name of 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one (CID 61065284) is 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one is CC(C1CCCO1)n1c(CCl)nc2ccccc2c1=O.
What is the InChIKey of 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one?
The InChIKey is KFTOOKVVMFTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(13-7-4-8-20-13)18-14(9-16)17-12-6-3-2-5-11(12)15(18)19/h2-3,5-6,10,13H,4,7-9H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one?
2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one has a molecular weight of 292.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 61065284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).