(3,5-difluorophenyl)-isoquinolin-1-ylmethanone

C16H9F2NO — CID 63949034

IUPAC(3,5-difluorophenyl)-isoquinolin-1-ylmethanone
SMILESO=C(c1cc(F)cc(F)c1)c1nccc2ccccc12
InChIInChI=1S/C16H9F2NO/c17-12-7-11(8-13(18)9-12)16(20)15-14-4-2-1-3-10(14)5-6-19-15/h1-9H
InChIKeyHCUUCQCRFMNRBH-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.74
Rot. Bonds2

About (3,5-difluorophenyl)-isoquinolin-1-ylmethanone

(3,5-difluorophenyl)-isoquinolin-1-ylmethanone (PubChem CID 63949034) has the molecular formula C16H9F2NO and a molecular weight of 269.25 g/mol. Its IUPAC name is (3,5-difluorophenyl)-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-isoquinolin-1-ylmethanone
PubChem CID63949034
Molecular FormulaC16H9F2NO
Molecular Weight269.25 g/mol
Exact Mass269.07
IUPAC Name(3,5-difluorophenyl)-isoquinolin-1-ylmethanone
SMILESO=C(c1cc(F)cc(F)c1)c1nccc2ccccc12
InChIInChI=1S/C16H9F2NO/c17-12-7-11(8-13(18)9-12)16(20)15-14-4-2-1-3-10(14)5-6-19-15/h1-9H
InChIKeyHCUUCQCRFMNRBH-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-Phenanthroline-5,6-dione
CID 6764
Jwh 307
CID 16049783
2-Benzoylpyridine
CID 7038
7H-Naphtho(1,2,3-ij)(2,7)naphthyridin-7-one
CID 387195
Jwh-368
CID 44418331
(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 25142799
(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418355
Dmp-543
CID 9887884
2-Benzoylquinoline
CID 727029
1-(2,7-Naphthyridin-3-yl)ethanone
CID 155795
1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-isoquinolinecarboxamide
CID 15870543
2-Pyridyl(2-quinolyl)methanone
CID 2817968

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-isoquinolin-1-ylmethanone?
The IUPAC name of (3,5-difluorophenyl)-isoquinolin-1-ylmethanone (CID 63949034) is (3,5-difluorophenyl)-isoquinolin-1-ylmethanone.
What is the SMILES notation for (3,5-difluorophenyl)-isoquinolin-1-ylmethanone?
The canonical SMILES for (3,5-difluorophenyl)-isoquinolin-1-ylmethanone is O=C(c1cc(F)cc(F)c1)c1nccc2ccccc12.
What is the InChIKey of (3,5-difluorophenyl)-isoquinolin-1-ylmethanone?
The InChIKey is HCUUCQCRFMNRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO/c17-12-7-11(8-13(18)9-12)16(20)15-14-4-2-1-3-10(14)5-6-19-15/h1-9H.
What are the key properties of (3,5-difluorophenyl)-isoquinolin-1-ylmethanone?
(3,5-difluorophenyl)-isoquinolin-1-ylmethanone has a molecular weight of 269.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-isoquinolin-1-ylmethanone is sourced from PubChem (CID 63949034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).