8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one

C12H10BrFN2O — CID 123645915

IUPAC8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2c(Br)c(F)ccc2c(=O)n1C1CC1
InChIInChI=1S/C12H10BrFN2O/c1-6-15-11-8(4-5-9(14)10(11)13)12(17)16(6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyDOEGQUXTAQLRRK-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.94
Rot. Bonds1

About 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one

8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one (PubChem CID 123645915) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one
PubChem CID123645915
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2c(Br)c(F)ccc2c(=O)n1C1CC1
InChIInChI=1S/C12H10BrFN2O/c1-6-15-11-8(4-5-9(14)10(11)13)12(17)16(6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyDOEGQUXTAQLRRK-UHFFFAOYSA-N
XLogP2.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one (CID 123645915) is 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one is Cc1nc2c(Br)c(F)ccc2c(=O)n1C1CC1.
What is the InChIKey of 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one?
The InChIKey is DOEGQUXTAQLRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-6-15-11-8(4-5-9(14)10(11)13)12(17)16(6)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one?
8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one has a molecular weight of 297.13 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 123645915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).