1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one

C24H25FN2O2 — CID 155010909

IUPAC1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2ccc(-c3cc4ncccc4cc3C)cc2F)CC1
InChIInChI=1S/C24H25FN2O2/c1-3-24(28)27-11-8-19(9-12-27)29-23-7-6-17(14-21(23)25)20-15-22-18(13-16(20)2)5-4-10-26-22/h4-7,10,13-15,19H,3,8-9,11-12H2,1-2H3
InChIKeySXXZYOXLJRJFFJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.13
Rot. Bonds4

About 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one

1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one (PubChem CID 155010909) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one
PubChem CID155010909
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2ccc(-c3cc4ncccc4cc3C)cc2F)CC1
InChIInChI=1S/C24H25FN2O2/c1-3-24(28)27-11-8-19(9-12-27)29-23-7-6-17(14-21(23)25)20-15-22-18(13-16(20)2)5-4-10-26-22/h4-7,10,13-15,19H,3,8-9,11-12H2,1-2H3
InChIKeySXXZYOXLJRJFFJ-UHFFFAOYSA-N
XLogP5.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
CID 118726314
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
CID 651089
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
1-[(4R)-2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25265635
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 46191502
1-(4-fluoro-3-methylphenyl)-9-(6-methoxypyridin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350919
N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 54575159
9-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 70228788
4-[[4-[4-(2-Methoxy-3-pyridyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593959
(R)-4-((R)-1-(7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238155
6-[5-[(6-Fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320234

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one (CID 155010909) is 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Oc2ccc(-c3cc4ncccc4cc3C)cc2F)CC1.
What is the InChIKey of 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one?
The InChIKey is SXXZYOXLJRJFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-3-24(28)27-11-8-19(9-12-27)29-23-7-6-17(14-21(23)25)20-15-22-18(13-16(20)2)5-4-10-26-22/h4-7,10,13-15,19H,3,8-9,11-12H2,1-2H3.
What are the key properties of 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one?
1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one has a molecular weight of 392.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155010909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).