6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C64H60F6N12O6 — CID 158901876

IUPAC6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCC1CN=C(c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)N1.Cc1cnc(-c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)[nH]1
InChIInChI=1S/C32H31F3N6O3.C32H29F3N6O3/c2*1-20-18-38-30(39-20)29-17-26(6-7-36-29)44-25-4-5-28-21(13-25)12-22(19-37-28)31(42)40-24-14-23(32(33,34)35)15-27(16-24)43-11-10-41-8-2-3-9-41/h4-7,12-17,19-20H,2-3,8-11,18H2,1H3,(H,38,39)(H,40,42);4-7,12-19H,2-3,8-11H2,1H3,(H,38,39)(H,40,42)
InChIKeyJFNYMKWIPDKCDR-UHFFFAOYSA-N
MW1207.25 g/mol
LogP12.77
Rot. Bonds18

About 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide

6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 158901876) has the molecular formula C64H60F6N12O6 and a molecular weight of 1207.25 g/mol. Its IUPAC name is 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID158901876
Molecular FormulaC64H60F6N12O6
Molecular Weight1207.25 g/mol
Exact Mass1206.47
IUPAC Name6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCC1CN=C(c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)N1.Cc1cnc(-c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)[nH]1
InChIInChI=1S/C32H31F3N6O3.C32H29F3N6O3/c2*1-20-18-38-30(39-20)29-17-26(6-7-36-29)44-25-4-5-28-21(13-25)12-22(19-37-28)31(42)40-24-14-23(32(33,34)35)15-27(16-24)43-11-10-41-8-2-3-9-41/h4-7,12-17,19-20H,2-3,8-11,18H2,1H3,(H,38,39)(H,40,42);4-7,12-19H,2-3,8-11H2,1H3,(H,38,39)(H,40,42)
InChIKeyJFNYMKWIPDKCDR-UHFFFAOYSA-N
XLogP12.77
TPSA206.23 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.25
LogP ≤ 512.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide with MolForge

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Related Compounds

US8653087, III-523
CID 68036347
(5-methoxy-2-methyl-1H-indol-3-yl)-[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 156020058
US8653087, III-529
CID 68036358
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166494633
6-{[2-(5-methyl-1H-imidazol-2-yl)pyridin-4-yl]oxy}-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-quinoline-3-carboxamide
CID 58902358
6-{[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-4-yl]oxy}-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 58902450
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 66721152
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 66721199
6-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 66721568
N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-7-[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxynaphthalene-2-carboxamide
CID 66721651
6-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69435649
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-6-[[2-[5-(hydroxymethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 69436506

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 158901876) is 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide is CC1CN=C(c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)N1.Cc1cnc(-c2cc(Oc3ccc4ncc(C(=O)Nc5cc(OCCN6CCCC6)cc(C(F)(F)F)c5)cc4c3)ccn2)[nH]1.
What is the InChIKey of 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is JFNYMKWIPDKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O3.C32H29F3N6O3/c2*1-20-18-38-30(39-20)29-17-26(6-7-36-29)44-25-4-5-28-21(13-25)12-22(19-37-28)31(42)40-24-14-23(32(33,34)35)15-27(16-24)43-11-10-41-8-2-3-9-41/h4-7,12-17,19-20H,2-3,8-11,18H2,1H3,(H,38,39)(H,40,42);4-7,12-19H,2-3,8-11H2,1H3,(H,38,39)(H,40,42).
What are the key properties of 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 1207.25 g/mol, XLogP of 12.77, 18 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 158901876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).