[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone

C22H21FN2O — CID 42749728

IUPAC[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C22H21FN2O/c1-15-5-10-20-18(13-15)19(22(26)25-11-3-2-4-12-25)14-21(24-20)16-6-8-17(23)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyRCYNODBVHMOSLS-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.98
Rot. Bonds2

About [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone

[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 42749728) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID42749728
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C22H21FN2O/c1-15-5-10-20-18(13-15)19(22(26)25-11-3-2-4-12-25)14-21(24-20)16-6-8-17(23)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyRCYNODBVHMOSLS-UHFFFAOYSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 42750169
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone (CID 42749728) is [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone is Cc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCCCC3)c2c1.
What is the InChIKey of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is RCYNODBVHMOSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-15-5-10-20-18(13-15)19(22(26)25-11-3-2-4-12-25)14-21(24-20)16-6-8-17(23)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone?
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 348.42 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42749728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).