(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone

C16H9BrFNO — CID 106647422

IUPAC(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1cccc(Br)c1F)c1ccnc2ccccc12
InChIInChI=1S/C16H9BrFNO/c17-13-6-3-5-12(15(13)18)16(20)11-8-9-19-14-7-2-1-4-10(11)14/h1-9H
InChIKeyDBRZWWCJTRYGRF-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.37
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone

(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone (PubChem CID 106647422) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
PubChem CID106647422
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
SMILESO=C(c1cccc(Br)c1F)c1ccnc2ccccc12
InChIInChI=1S/C16H9BrFNO/c17-13-6-3-5-12(15(13)18)16(20)11-8-9-19-14-7-2-1-4-10(11)14/h1-9H
InChIKeyDBRZWWCJTRYGRF-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(3-bromofuran-2-yl)-quinolin-5-ylmethanone
CID 105101672
(4-aminoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106647258
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone (CID 106647422) is (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone is O=C(c1cccc(Br)c1F)c1ccnc2ccccc12.
What is the InChIKey of (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone?
The InChIKey is DBRZWWCJTRYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-13-6-3-5-12(15(13)18)16(20)11-8-9-19-14-7-2-1-4-10(11)14/h1-9H.
What are the key properties of (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone?
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone has a molecular weight of 330.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 106647422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).