4-(cyclohexylmethyl)-3H-quinazolin-2-one

C15H18N2O — CID 44542409

IUPAC4-(cyclohexylmethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(CC2CCCCC2)[nH]1
InChIInChI=1S/C15H18N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17,18)
InChIKeyUWESFJRMVPCSQK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.05
Rot. Bonds2

About 4-(cyclohexylmethyl)-3H-quinazolin-2-one

4-(cyclohexylmethyl)-3H-quinazolin-2-one (PubChem CID 44542409) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3H-quinazolin-2-one
PubChem CID44542409
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(cyclohexylmethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(CC2CCCCC2)[nH]1
InChIInChI=1S/C15H18N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17,18)
InChIKeyUWESFJRMVPCSQK-UHFFFAOYSA-N
XLogP3.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3H-quinazolin-2-one?
The IUPAC name of 4-(cyclohexylmethyl)-3H-quinazolin-2-one (CID 44542409) is 4-(cyclohexylmethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3H-quinazolin-2-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3H-quinazolin-2-one is O=c1nc2ccccc2c(CC2CCCCC2)[nH]1.
What is the InChIKey of 4-(cyclohexylmethyl)-3H-quinazolin-2-one?
The InChIKey is UWESFJRMVPCSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-16-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17,18).
What are the key properties of 4-(cyclohexylmethyl)-3H-quinazolin-2-one?
4-(cyclohexylmethyl)-3H-quinazolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 44542409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).