(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone

C17H12FNO2 — CID 115790996

IUPAC(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
SMILESCOc1cc(C(=O)c2ccc3cccnc3c2)ccc1F
InChIInChI=1S/C17H12FNO2/c1-21-16-10-13(6-7-14(16)18)17(20)12-5-4-11-3-2-8-19-15(11)9-12/h2-10H,1H3
InChIKeyQTETYFAGTGFYBY-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.61
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone

(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone (PubChem CID 115790996) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
PubChem CID115790996
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
SMILESCOc1cc(C(=O)c2ccc3cccnc3c2)ccc1F
InChIInChI=1S/C17H12FNO2/c1-21-16-10-13(6-7-14(16)18)17(20)12-5-4-11-3-2-8-19-15(11)9-12/h2-10H,1H3
InChIKeyQTETYFAGTGFYBY-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone
CID 114905760
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone
CID 115790959
quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115790977
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone (CID 115790996) is (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone is COc1cc(C(=O)c2ccc3cccnc3c2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone?
The InChIKey is QTETYFAGTGFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-21-16-10-13(6-7-14(16)18)17(20)12-5-4-11-3-2-8-19-15(11)9-12/h2-10H,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone?
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone has a molecular weight of 281.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 115790996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).