7-chloro-2-cyclohexyl-3H-quinazolin-4-one

C14H15ClN2O — CID 135484981

IUPAC7-chloro-2-cyclohexyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H15ClN2O/c15-10-6-7-11-12(8-10)16-13(17-14(11)18)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17,18)
InChIKeyOASZMKFGOOQRNQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.62
Rot. Bonds1

About 7-chloro-2-cyclohexyl-3H-quinazolin-4-one

7-chloro-2-cyclohexyl-3H-quinazolin-4-one (PubChem CID 135484981) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 7-chloro-2-cyclohexyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-cyclohexyl-3H-quinazolin-4-one
PubChem CID135484981
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name7-chloro-2-cyclohexyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H15ClN2O/c15-10-6-7-11-12(8-10)16-13(17-14(11)18)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17,18)
InChIKeyOASZMKFGOOQRNQ-UHFFFAOYSA-N
XLogP3.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclohexyl-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-cyclohexyl-3H-quinazolin-4-one (CID 135484981) is 7-chloro-2-cyclohexyl-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-cyclohexyl-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-cyclohexyl-3H-quinazolin-4-one is O=c1[nH]c(C2CCCCC2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-cyclohexyl-3H-quinazolin-4-one?
The InChIKey is OASZMKFGOOQRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-10-6-7-11-12(8-10)16-13(17-14(11)18)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17,18).
What are the key properties of 7-chloro-2-cyclohexyl-3H-quinazolin-4-one?
7-chloro-2-cyclohexyl-3H-quinazolin-4-one has a molecular weight of 262.74 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclohexyl-3H-quinazolin-4-one is sourced from PubChem (CID 135484981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).