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

C109H110F17N23O8 — CID 158322017

IUPAC7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F.C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1
InChIInChI=1S/C23H22F4N4O.C22H20F4N4O.C22H24F3N5O2.2C21H22F3N5O2/c1-30-8-9-31(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;23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)12-30-8-7-28-11-20(30)22(24,25)26;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;2*1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32);1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31);2*3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30)/t;;19-;12-,19+;12-,19-/m..101/s1
InChIKeyGOYSWHDWGCQPRK-BOERHALESA-N
MW2193.20 g/mol
LogP16.34
Rot. Bonds20

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

7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158322017) has the molecular formula C109H110F17N23O8 and a molecular weight of 2193.20 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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID158322017
Molecular FormulaC109H110F17N23O8
Molecular Weight2193.20 g/mol
Exact Mass2191.86
IUPAC Name7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F.C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1
InChIInChI=1S/C23H22F4N4O.C22H20F4N4O.C22H24F3N5O2.2C21H22F3N5O2/c1-30-8-9-31(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;23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)12-30-8-7-28-11-20(30)22(24,25)26;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;2*1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32);1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31);2*3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30)/t;;19-;12-,19+;12-,19-/m..101/s1
InChIKeyGOYSWHDWGCQPRK-BOERHALESA-N
XLogP16.34
TPSA392.52 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002193.20
LogP ≤ 516.34
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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]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
7-[[(2R)-5,5-dimethyl-2-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554790

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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158322017) is 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1C(F)(F)F.C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1.
What is the InChIKey of 7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is GOYSWHDWGCQPRK-BOERHALESA-N. The full InChI is InChI=1S/C23H22F4N4O.C22H20F4N4O.C22H24F3N5O2.2C21H22F3N5O2/c1-30-8-9-31(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;23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)12-30-8-7-28-11-20(30)22(24,25)26;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;2*1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32);1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31);2*3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30)/t;;19-;12-,19+;12-,19-/m..101/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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2193.20 g/mol, XLogP of 16.34, 20 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;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158322017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).