N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide

C35H37F3N4O2 — CID 58456879

IUPACN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
SMILESCc1ccc(CN2CCC(NC(=O)c3cnc4ccc(OC5CCN(c6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cc1
InChIInChI=1S/C35H37F3N4O2/c1-24-2-4-25(5-3-24)23-41-16-12-29(13-17-41)40-34(43)27-20-26-21-32(10-11-33(26)39-22-27)44-31-14-18-42(19-15-31)30-8-6-28(7-9-30)35(36,37)38/h2-11,20-22,29,31H,12-19,23H2,1H3,(H,40,43)
InChIKeyDHXIBYRCQOIZKN-UHFFFAOYSA-N
MW602.70 g/mol
LogP7.00
Rot. Bonds7

About N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide (PubChem CID 58456879) has the molecular formula C35H37F3N4O2 and a molecular weight of 602.70 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
PubChem CID58456879
Molecular FormulaC35H37F3N4O2
Molecular Weight602.70 g/mol
Exact Mass602.29
IUPAC NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
SMILESCc1ccc(CN2CCC(NC(=O)c3cnc4ccc(OC5CCN(c6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cc1
InChIInChI=1S/C35H37F3N4O2/c1-24-2-4-25(5-3-24)23-41-16-12-29(13-17-41)40-34(43)27-20-26-21-32(10-11-33(26)39-22-27)44-31-14-18-42(19-15-31)30-8-6-28(7-9-30)35(36,37)38/h2-11,20-22,29,31H,12-19,23H2,1H3,(H,40,43)
InChIKeyDHXIBYRCQOIZKN-UHFFFAOYSA-N
XLogP7.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide with MolForge

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Related Compounds

N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10555793
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4-fluorophenyl]quinoline-3-carboxamide
CID 15511441
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-5-fluorophenyl]quinoline-3-carboxamide
CID 15511442
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxo-6H-benzo[c][2,7]naphthyridine-8-carboxamide
CID 117804714
Piperazin-1-yl(6-{[5-(trifluoromethyl)pyridin-2-yl]oxy}quinolin-2-yl)methanone
CID 118273680
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-[4-(propanoylamino)piperidin-1-yl]-3-(trifluoromethyl)benzamide
CID 126738322
Chmfl-abl/kit-155
CID 132546210

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide (CID 58456879) is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide is Cc1ccc(CN2CCC(NC(=O)c3cnc4ccc(OC5CCN(c6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The InChIKey is DHXIBYRCQOIZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F3N4O2/c1-24-2-4-25(5-3-24)23-41-16-12-29(13-17-41)40-34(43)27-20-26-21-32(10-11-33(26)39-22-27)44-31-14-18-42(19-15-31)30-8-6-28(7-9-30)35(36,37)38/h2-11,20-22,29,31H,12-19,23H2,1H3,(H,40,43).
What are the key properties of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide has a molecular weight of 602.70 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide is sourced from PubChem (CID 58456879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).