(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone

C17H12FNO2 — CID 78917671

IUPAC(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H12FNO2/c1-21-16-7-5-13(18)10-14(16)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h2-10H,1H3
InChIKeyKOGQUTRRTWDDHP-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.61
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone

(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone (PubChem CID 78917671) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
PubChem CID78917671
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H12FNO2/c1-21-16-7-5-13(18)10-14(16)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h2-10H,1H3
InChIKeyKOGQUTRRTWDDHP-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

(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone (CID 78917671) is (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone is COc1ccc(F)cc1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone?
The InChIKey is KOGQUTRRTWDDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-21-16-7-5-13(18)10-14(16)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h2-10H,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone?
(5-fluoro-2-methoxyphenyl)-quinolin-6-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 (5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 78917671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).