6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one

C19H25BrFN3O — CID 163558112

IUPAC6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one
SMILESCCCC(c1nc2cc(F)c(Br)cc2c(=O)n1CC)N1CCCCC1
InChIInChI=1S/C19H25BrFN3O/c1-3-8-17(23-9-6-5-7-10-23)18-22-16-12-15(21)14(20)11-13(16)19(25)24(18)4-2/h11-12,17H,3-10H2,1-2H3
InChIKeyFOVIYMMJGCEJHE-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.65
Rot. Bonds5

About 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one

6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one (PubChem CID 163558112) has the molecular formula C19H25BrFN3O and a molecular weight of 410.33 g/mol. Its IUPAC name is 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one
PubChem CID163558112
Molecular FormulaC19H25BrFN3O
Molecular Weight410.33 g/mol
Exact Mass409.12
IUPAC Name6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one
SMILESCCCC(c1nc2cc(F)c(Br)cc2c(=O)n1CC)N1CCCCC1
InChIInChI=1S/C19H25BrFN3O/c1-3-8-17(23-9-6-5-7-10-23)18-22-16-12-15(21)14(20)11-13(16)19(25)24(18)4-2/h11-12,17H,3-10H2,1-2H3
InChIKeyFOVIYMMJGCEJHE-UHFFFAOYSA-N
XLogP4.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one?
The IUPAC name of 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one (CID 163558112) is 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one is CCCC(c1nc2cc(F)c(Br)cc2c(=O)n1CC)N1CCCCC1.
What is the InChIKey of 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one?
The InChIKey is FOVIYMMJGCEJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrFN3O/c1-3-8-17(23-9-6-5-7-10-23)18-22-16-12-15(21)14(20)11-13(16)19(25)24(18)4-2/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one?
6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one has a molecular weight of 410.33 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one is sourced from PubChem (CID 163558112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).