2-butyl-5-fluoro-3H-quinazolin-4-one

C12H13FN2O — CID 137190136

IUPAC2-butyl-5-fluoro-3H-quinazolin-4-one
SMILESCCCCc1nc2cccc(F)c2c(=O)[nH]1
InChIInChI=1S/C12H13FN2O/c1-2-3-7-10-14-9-6-4-5-8(13)11(9)12(16)15-10/h4-6H,2-3,7H2,1H3,(H,14,15,16)
InChIKeyKHCWDDHFDFEUEK-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.40
Rot. Bonds3

About 2-butyl-5-fluoro-3H-quinazolin-4-one

2-butyl-5-fluoro-3H-quinazolin-4-one (PubChem CID 137190136) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-butyl-5-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-5-fluoro-3H-quinazolin-4-one
PubChem CID137190136
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-butyl-5-fluoro-3H-quinazolin-4-one
SMILESCCCCc1nc2cccc(F)c2c(=O)[nH]1
InChIInChI=1S/C12H13FN2O/c1-2-3-7-10-14-9-6-4-5-8(13)11(9)12(16)15-10/h4-6H,2-3,7H2,1H3,(H,14,15,16)
InChIKeyKHCWDDHFDFEUEK-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-pentyl-3H-quinazolin-4-one
CID 150394937
5-fluoro-2-(nitromethyl)-3H-quinazolin-4-one
CID 137288291
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
CID 137289722
5-fluoro-2-(1-hydroxyethenyl)-3H-quinazolin-4-one
CID 143679562
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
2-docosyl-1H-benzimidazole
CID 141189761
2-butyl-6-(hydroxymethyl)-3H-quinazolin-4-one
CID 135689363
2-butyl-7-fluoro-1,3-benzothiazole
CID 175941310
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-fluoro-3H-quinazolin-4-one?
The IUPAC name of 2-butyl-5-fluoro-3H-quinazolin-4-one (CID 137190136) is 2-butyl-5-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-butyl-5-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-butyl-5-fluoro-3H-quinazolin-4-one is CCCCc1nc2cccc(F)c2c(=O)[nH]1.
What is the InChIKey of 2-butyl-5-fluoro-3H-quinazolin-4-one?
The InChIKey is KHCWDDHFDFEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-3-7-10-14-9-6-4-5-8(13)11(9)12(16)15-10/h4-6H,2-3,7H2,1H3,(H,14,15,16).
What are the key properties of 2-butyl-5-fluoro-3H-quinazolin-4-one?
2-butyl-5-fluoro-3H-quinazolin-4-one has a molecular weight of 220.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 137190136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).