1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine

C23H26FN3O — CID 133394145

IUPAC1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCCOc3ccccc3)CC2)c2cccc(F)c2n1
InChIInChI=1S/C23H26FN3O/c1-17-16-22(20-8-5-9-21(24)23(20)26-17)27-13-10-18(11-14-27)25-12-15-28-19-6-3-2-4-7-19/h2-9,16,18,25H,10-15H2,1H3
InChIKeyIUZFRVDPRDTCNM-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.32
Rot. Bonds6

About 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine

1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine (PubChem CID 133394145) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
PubChem CID133394145
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCCOc3ccccc3)CC2)c2cccc(F)c2n1
InChIInChI=1S/C23H26FN3O/c1-17-16-22(20-8-5-9-21(24)23(20)26-17)27-13-10-18(11-14-27)25-12-15-28-19-6-3-2-4-7-19/h2-9,16,18,25H,10-15H2,1H3
InChIKeyIUZFRVDPRDTCNM-UHFFFAOYSA-N
XLogP4.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-2-methyl-4-(3-pyridin-3-yloxypyrrolidin-1-yl)quinoline
CID 133369289
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080
8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133368525
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The IUPAC name of 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine (CID 133394145) is 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine is Cc1cc(N2CCC(NCCOc3ccccc3)CC2)c2cccc(F)c2n1.
What is the InChIKey of 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The InChIKey is IUZFRVDPRDTCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-16-22(20-8-5-9-21(24)23(20)26-17)27-13-10-18(11-14-27)25-12-15-28-19-6-3-2-4-7-19/h2-9,16,18,25H,10-15H2,1H3.
What are the key properties of 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine has a molecular weight of 379.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-methylquinolin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine is sourced from PubChem (CID 133394145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).