1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione

C12H11FN2O2 — CID 141041669

IUPAC1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione
SMILESCc1c(F)ccc2c1c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C12H11FN2O2/c1-6-8(13)4-5-9-10(6)11(16)14-12(17)15(9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,16,17)
InChIKeyDKGBNEBFGVGQAX-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.47
Rot. Bonds1

About 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione

1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione (PubChem CID 141041669) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione
PubChem CID141041669
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione
SMILESCc1c(F)ccc2c1c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C12H11FN2O2/c1-6-8(13)4-5-9-10(6)11(16)14-12(17)15(9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,16,17)
InChIKeyDKGBNEBFGVGQAX-UHFFFAOYSA-N
XLogP1.47
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
CID 83415043
5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one
CID 177301925
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione
CID 141041719
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598423
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
1-cyclopropyl-7-(4,5-dihydroxy-3,3a,4,5,6,8a-hexahydro-1H-cyclohepta[c]pyrrol-2-yl)-6-fluoro-5,8-dimethylquinazoline-2,4-dione
CID 90882682
7-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
CID 68624025
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione (CID 141041669) is 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione is Cc1c(F)ccc2c1c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione?
The InChIKey is DKGBNEBFGVGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-6-8(13)4-5-9-10(6)11(16)14-12(17)15(9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione?
1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione has a molecular weight of 234.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione is sourced from PubChem (CID 141041669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).