6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one

C14H9BrFN3O — CID 99839478

IUPAC6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2cc(Br)cc(F)c2ncn1Cc1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-10-4-11-13(12(16)5-10)18-8-19(14(11)20)7-9-2-1-3-17-6-9/h1-6,8H,7H2
InChIKeyHABRGTZNMDTIAW-UHFFFAOYSA-N
MW334.15 g/mol
LogP2.74
Rot. Bonds2

About 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one

6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one (PubChem CID 99839478) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one
PubChem CID99839478
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2cc(Br)cc(F)c2ncn1Cc1cccnc1
InChIInChI=1S/C14H9BrFN3O/c15-10-4-11-13(12(16)5-10)18-8-19(14(11)20)7-9-2-1-3-17-6-9/h1-6,8H,7H2
InChIKeyHABRGTZNMDTIAW-UHFFFAOYSA-N
XLogP2.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 66308769
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594072
3-[(5-bromo-3-pyridinyl)methyl]quinazolin-4-one
CID 39528816
6-bromo-8-fluoro-3-[3-(2-methoxyethylsulfanyl)propyl]quinazolin-4-one
CID 154798356
6-bromo-3-[(2R)-3-ethoxy-2-hydroxypropyl]-8-fluoroquinazolin-4-one
CID 99839919
4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 58166492
6-bromo-3-fluoro-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155389493
7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53035229
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-benzyl-7-bromoquinazolin-4-one
CID 23158166

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one (CID 99839478) is 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one is O=c1c2cc(Br)cc(F)c2ncn1Cc1cccnc1.
What is the InChIKey of 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The InChIKey is HABRGTZNMDTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-4-11-13(12(16)5-10)18-8-19(14(11)20)7-9-2-1-3-17-6-9/h1-6,8H,7H2.
What are the key properties of 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one?
6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one has a molecular weight of 334.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-3-(pyridin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 99839478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).