N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C26H27F3N2O4 — CID 55534009

IUPACN-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCCCC3C(F)(F)F)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C26H27F3N2O4/c1-33-22-12-15(13-23(34-2)24(22)35-3)21-14-17(16-8-4-6-10-19(16)30-21)25(32)31-20-11-7-5-9-18(20)26(27,28)29/h4,6,8,10,12-14,18,20H,5,7,9,11H2,1-3H3,(H,31,32)
InChIKeyNUVLXLSOTZSTTO-UHFFFAOYSA-N
MW488.51 g/mol
LogP5.78
Rot. Bonds6

About N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 55534009) has the molecular formula C26H27F3N2O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID55534009
Molecular FormulaC26H27F3N2O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCCCC3C(F)(F)F)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C26H27F3N2O4/c1-33-22-12-15(13-23(34-2)24(22)35-3)21-14-17(16-8-4-6-10-19(16)30-21)25(32)31-20-11-7-5-9-18(20)26(27,28)29/h4,6,8,10,12-14,18,20H,5,7,9,11H2,1-3H3,(H,31,32)
InChIKeyNUVLXLSOTZSTTO-UHFFFAOYSA-N
XLogP5.78
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
methyl 1-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55572641
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 98399051
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 55534009) is N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)NC3CCCCC3C(F)(F)F)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is NUVLXLSOTZSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O4/c1-33-22-12-15(13-23(34-2)24(22)35-3)21-14-17(16-8-4-6-10-19(16)30-21)25(32)31-20-11-7-5-9-18(20)26(27,28)29/h4,6,8,10,12-14,18,20H,5,7,9,11H2,1-3H3,(H,31,32).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 55534009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).