7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide

C27H31F3N4O3 — CID 90766370

IUPAC7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
SMILESCOCc1ccc2c(C(N)=O)cc(=O)n(CCN3CCC(NCc4cccc(C(F)(F)F)c4)CC3)c2c1
InChIInChI=1S/C27H31F3N4O3/c1-37-17-19-5-6-22-23(26(31)36)15-25(35)34(24(22)14-19)12-11-33-9-7-21(8-10-33)32-16-18-3-2-4-20(13-18)27(28,29)30/h2-6,13-15,21,32H,7-12,16-17H2,1H3,(H2,31,36)
InChIKeyJMONCINPGKOMHX-UHFFFAOYSA-N
MW516.56 g/mol
LogP3.52
Rot. Bonds9

About 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide

7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide (PubChem CID 90766370) has the molecular formula C27H31F3N4O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
PubChem CID90766370
Molecular FormulaC27H31F3N4O3
Molecular Weight516.56 g/mol
Exact Mass516.23
IUPAC Name7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
SMILESCOCc1ccc2c(C(N)=O)cc(=O)n(CCN3CCC(NCc4cccc(C(F)(F)F)c4)CC3)c2c1
InChIInChI=1S/C27H31F3N4O3/c1-37-17-19-5-6-22-23(26(31)36)15-25(35)34(24(22)14-19)12-11-33-9-7-21(8-10-33)32-16-18-3-2-4-20(13-18)27(28,29)30/h2-6,13-15,21,32H,7-12,16-17H2,1H3,(H2,31,36)
InChIKeyJMONCINPGKOMHX-UHFFFAOYSA-N
XLogP3.52
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

1-[2-[4-(1-benzofuran-5-ylmethylamino)piperidin-1-yl]ethyl]-7-(methoxymethyl)-2-oxoquinoline-4-carboxamide
CID 91360689
7-(methoxymethyl)-2-oxo-1-[2-[4-(phenanthren-9-ylmethylamino)piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 90688755
1-[2-[4-[(2-chloro-6-methylquinolin-3-yl)methylamino]piperidin-1-yl]ethyl]-7-(methoxymethyl)-2-oxoquinoline-4-carboxamide
CID 90845266
1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
CID 59397946
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67537611
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
methyl 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-2-oxoquinoline-4-carboxylate;methyl 1-[2-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]ethyl]-7-methyl-2-oxoquinoline-4-carboxylate
CID 159500581
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
methyl N-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]carbamate
CID 59398005
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide (CID 90766370) is 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide is COCc1ccc2c(C(N)=O)cc(=O)n(CCN3CCC(NCc4cccc(C(F)(F)F)c4)CC3)c2c1.
What is the InChIKey of 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide?
The InChIKey is JMONCINPGKOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O3/c1-37-17-19-5-6-22-23(26(31)36)15-25(35)34(24(22)14-19)12-11-33-9-7-21(8-10-33)32-16-18-3-2-4-20(13-18)27(28,29)30/h2-6,13-15,21,32H,7-12,16-17H2,1H3,(H2,31,36).
What are the key properties of 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide?
7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide has a molecular weight of 516.56 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 90766370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).