6-chloro-3-cyclohexylquinazolin-4-one

C14H15ClN2O — CID 10400504

IUPAC6-chloro-3-cyclohexylquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1C1CCCCC1
InChIInChI=1S/C14H15ClN2O/c15-10-6-7-13-12(8-10)14(18)17(9-16-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyRIQHCBWGJKMJIW-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.56
Rot. Bonds1

About 6-chloro-3-cyclohexylquinazolin-4-one

6-chloro-3-cyclohexylquinazolin-4-one (PubChem CID 10400504) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-3-cyclohexylquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-cyclohexylquinazolin-4-one
PubChem CID10400504
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-3-cyclohexylquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1C1CCCCC1
InChIInChI=1S/C14H15ClN2O/c15-10-6-7-13-12(8-10)14(18)17(9-16-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyRIQHCBWGJKMJIW-UHFFFAOYSA-N
XLogP3.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexylquinazolin-4-one?
The IUPAC name of 6-chloro-3-cyclohexylquinazolin-4-one (CID 10400504) is 6-chloro-3-cyclohexylquinazolin-4-one.
What is the SMILES notation for 6-chloro-3-cyclohexylquinazolin-4-one?
The canonical SMILES for 6-chloro-3-cyclohexylquinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1C1CCCCC1.
What is the InChIKey of 6-chloro-3-cyclohexylquinazolin-4-one?
The InChIKey is RIQHCBWGJKMJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-10-6-7-13-12(8-10)14(18)17(9-16-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 6-chloro-3-cyclohexylquinazolin-4-one?
6-chloro-3-cyclohexylquinazolin-4-one has a molecular weight of 262.74 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexylquinazolin-4-one is sourced from PubChem (CID 10400504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).