7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C112H122F11N23O8 — CID 161213029

IUPAC7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCC(C)CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1
InChIInChI=1S/2C23H22F4N4O.C23H29N5O2.C22H24F3N5O2.C21H25N5O2/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;1-30-8-9-31(13-21(30)23(25,26)27)12-14-2-7-17-18(15-3-5-16(24)6-4-15)11-20(22(28)32)29-19(17)10-14;1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-21(2)12-30(11-19(32-21)22(23,24)25)9-13-4-5-15-16(14-8-27-29(3)10-14)7-18(20(26)31)28-17(15)6-13;1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32);2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)/t13-,21?;;;19-;/m1..1./s1
InChIKeyUWMLBDBOWDJJNW-GUYFARCQSA-N
MW2127.34 g/mol
LogP16.28
Rot. Bonds23

About 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 161213029) has the molecular formula C112H122F11N23O8 and a molecular weight of 2127.34 g/mol. Its IUPAC name is 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID161213029
Molecular FormulaC112H122F11N23O8
Molecular Weight2127.34 g/mol
Exact Mass2125.97
IUPAC Name7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCC(C)CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1
InChIInChI=1S/2C23H22F4N4O.C23H29N5O2.C22H24F3N5O2.C21H25N5O2/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;1-30-8-9-31(13-21(30)23(25,26)27)12-14-2-7-17-18(15-3-5-16(24)6-4-15)11-20(22(28)32)29-19(17)10-14;1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-21(2)12-30(11-19(32-21)22(23,24)25)9-13-4-5-15-16(14-8-27-29(3)10-14)7-18(20(26)31)28-17(15)6-13;1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32);2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)/t13-,21?;;;19-;/m1..1./s1
InChIKeyUWMLBDBOWDJJNW-GUYFARCQSA-N
XLogP16.28
TPSA392.52 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002127.34
LogP ≤ 516.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide with MolForge

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Related Compounds

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
Wgy5L2V9GM
CID 89545222
4-(1-Methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 123400501
4-(1-Ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565961
4-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565963
(R)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545260
4-[1-(Difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554787
4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554788
4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554789
4-(1-Methyl-1H-pyrazol-4-yl)-7-((2-(2,2,2-trifluoroethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89554795

Frequently Asked Questions

What is the IUPAC name of 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 161213029) is 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is CC(C)CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1.
What is the InChIKey of 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is UWMLBDBOWDJJNW-GUYFARCQSA-N. The full InChI is InChI=1S/2C23H22F4N4O.C23H29N5O2.C22H24F3N5O2.C21H25N5O2/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;1-30-8-9-31(13-21(30)23(25,26)27)12-14-2-7-17-18(15-3-5-16(24)6-4-15)11-20(22(28)32)29-19(17)10-14;1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-21(2)12-30(11-19(32-21)22(23,24)25)9-13-4-5-15-16(14-8-27-29(3)10-14)7-18(20(26)31)28-17(15)6-13;1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32);2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)/t13-,21?;;;19-;/m1..1./s1.
What are the key properties of 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 2127.34 g/mol, XLogP of 16.28, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 161213029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).