(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone

C17H12FNO2 — CID 62850433

IUPAC(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
SMILESCOc1ccc(C(=O)c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C17H12FNO2/c1-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h2-10H,1H3
InChIKeyVGHOICBJCNXCTB-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.61
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone

(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone (PubChem CID 62850433) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
PubChem CID62850433
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
SMILESCOc1ccc(C(=O)c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C17H12FNO2/c1-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h2-10H,1H3
InChIKeyVGHOICBJCNXCTB-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

(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218
6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
CID 172878085
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone (CID 62850433) is (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone is COc1ccc(C(=O)c2ccc3ncccc3c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone?
The InChIKey is VGHOICBJCNXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-21-16-7-5-13(10-14(16)18)17(20)12-4-6-15-11(9-12)3-2-8-19-15/h2-10H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone?
(3-fluoro-4-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 (3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 62850433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).