2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one

C15H19ClN2O — CID 62200086

IUPAC2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
SMILESCCCCC(C)n1c(CCl)nc2ccccc2c1=O
InChIInChI=1S/C15H19ClN2O/c1-3-4-7-11(2)18-14(10-16)17-13-9-6-5-8-12(13)15(18)19/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyDDQOXBIPAZQEIH-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.89
Rot. Bonds5

About 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one

2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one (PubChem CID 62200086) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
PubChem CID62200086
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
SMILESCCCCC(C)n1c(CCl)nc2ccccc2c1=O
InChIInChI=1S/C15H19ClN2O/c1-3-4-7-11(2)18-14(10-16)17-13-9-6-5-8-12(13)15(18)19/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyDDQOXBIPAZQEIH-UHFFFAOYSA-N
XLogP3.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.89
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-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 63545795
3-amino-2-hexan-2-ylisoquinolin-1-one
CID 55049824
2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]quinazolin-4-one
CID 61065284
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059
4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 104838029
2-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-ethyl-3-pentylquinazolin-4-one
CID 529110
2-ethylsulfanyl-3-(4-phenylbutan-2-yl)quinazolin-4-one
CID 175652030
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one?
The IUPAC name of 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one (CID 62200086) is 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one?
The canonical SMILES for 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one is CCCCC(C)n1c(CCl)nc2ccccc2c1=O.
What is the InChIKey of 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one?
The InChIKey is DDQOXBIPAZQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-4-7-11(2)18-14(10-16)17-13-9-6-5-8-12(13)15(18)19/h5-6,8-9,11H,3-4,7,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one?
2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one has a molecular weight of 278.78 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one is sourced from PubChem (CID 62200086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).