2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one

C14H14F2N2O — CID 178046211

IUPAC2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2cc(F)cc(F)c12
InChIInChI=1S/C14H14F2N2O/c15-9-6-10(16)12-11(7-9)17-13(18-14(12)19)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18,19)
InChIKeyFUWAZODFQMLRMU-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.25
Rot. Bonds1

About 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one

2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one (PubChem CID 178046211) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one
PubChem CID178046211
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2cc(F)cc(F)c12
InChIInChI=1S/C14H14F2N2O/c15-9-6-10(16)12-11(7-9)17-13(18-14(12)19)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18,19)
InChIKeyFUWAZODFQMLRMU-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
CID 178046227
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437607
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918242
6-bromo-7-fluoro-2-[(2R)-thiolan-2-yl]-3H-quinazolin-4-one
CID 136743812
2-cyclopentyl-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439270
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865019
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198
2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
CID 82502367
2-cyclohexyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 18524194

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one (CID 178046211) is 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one is O=c1[nH]c(C2CCCCC2)nc2cc(F)cc(F)c12.
What is the InChIKey of 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one?
The InChIKey is FUWAZODFQMLRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-9-6-10(16)12-11(7-9)17-13(18-14(12)19)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18,19).
What are the key properties of 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one?
2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one has a molecular weight of 264.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,7-difluoro-3H-quinazolin-4-one is sourced from PubChem (CID 178046211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).