8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one

C16H16BrFN2O2 — CID 170753246

IUPAC8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
SMILESO=c1c2cc(F)cc(Br)c2nc(C2CCOCC2)n1C1CC1
InChIInChI=1S/C16H16BrFN2O2/c17-13-8-10(18)7-12-14(13)19-15(9-3-5-22-6-4-9)20(16(12)21)11-1-2-11/h7-9,11H,1-6H2
InChIKeyFXCMMYRXOMVAMN-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.53
Rot. Bonds2

About 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one

8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one (PubChem CID 170753246) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
PubChem CID170753246
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one
SMILESO=c1c2cc(F)cc(Br)c2nc(C2CCOCC2)n1C1CC1
InChIInChI=1S/C16H16BrFN2O2/c17-13-8-10(18)7-12-14(13)19-15(9-3-5-22-6-4-9)20(16(12)21)11-1-2-11/h7-9,11H,1-6H2
InChIKeyFXCMMYRXOMVAMN-UHFFFAOYSA-N
XLogP3.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(difluoromethyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 69566750
8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4(3H)-one
CID 89781975
8-Bromo-3-(2-fluoroethyl)-2-methylquinazolin-4-one
CID 90003891
8-bromo-3-(2,2-difluoroethyl)-2-methyl-3H-quinazolin-4-one
CID 90003939
8-Bromo-3-cyclopropyl-7-fluoro-2-methylquinazolin-4-one
CID 123645915
6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one
CID 153382177
tert-butyl 4-(6-bromo-8-fluoro-4-oxo-3H-quinazolin-2-yl)piperidine-1-carboxylate
CID 153382183
6-bromo-2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]-3-ethyl-7-fluoroquinazolin-4-one
CID 163437154
6-Bromo-3-ethyl-7-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one
CID 163558112
6-Bromo-3-ethyl-8-fluoro-2-(1-piperidin-1-ylbutyl)quinazolin-4-one
CID 163827789
6-bromo-3-ethyl-7-fluoro-2-[(1R)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836083
6-bromo-3-ethyl-7-fluoro-2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836084

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
The IUPAC name of 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one (CID 170753246) is 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one.
What is the SMILES notation for 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
The canonical SMILES for 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one is O=c1c2cc(F)cc(Br)c2nc(C2CCOCC2)n1C1CC1.
What is the InChIKey of 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
The InChIKey is FXCMMYRXOMVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c17-13-8-10(18)7-12-14(13)19-15(9-3-5-22-6-4-9)20(16(12)21)11-1-2-11/h7-9,11H,1-6H2.
What are the key properties of 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one?
8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one has a molecular weight of 367.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclopropyl-6-fluoro-2-(oxan-4-yl)quinazolin-4-one is sourced from PubChem (CID 170753246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).