4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C103H98F20N24O9 — CID 159508410

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESC[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1
InChIInChI=1S/C22H20F4N4O.C21H22F3N5O2.C20H18F5N5O2.2C20H19F4N5O2/c23-15-4-2-14(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;1-12-11-31-19(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;21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25;2*21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30);1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31);2*1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30)/t;12-,19-;;2*18-/m.1.10/s1
InChIKeyMAHDHYSFBSRBHI-JBUFNXJMSA-N
MW2196.04 g/mol
LogP15.49
Rot. Bonds23

About 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 159508410) has the molecular formula C103H98F20N24O9 and a molecular weight of 2196.04 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID159508410
Molecular FormulaC103H98F20N24O9
Molecular Weight2196.04 g/mol
Exact Mass2194.76
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESC[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1
InChIInChI=1S/C22H20F4N4O.C21H22F3N5O2.C20H18F5N5O2.2C20H19F4N5O2/c23-15-4-2-14(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;1-12-11-31-19(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;21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25;2*21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30);1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31);2*1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30)/t;12-,19-;;2*18-/m.1.10/s1
InChIKeyMAHDHYSFBSRBHI-JBUFNXJMSA-N
XLogP15.49
TPSA416.33 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.04
LogP ≤ 515.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,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
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 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 159508410) is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is MAHDHYSFBSRBHI-JBUFNXJMSA-N. The full InChI is InChI=1S/C22H20F4N4O.C21H22F3N5O2.C20H18F5N5O2.2C20H19F4N5O2/c23-15-4-2-14(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;1-12-11-31-19(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;21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25;2*21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31);3-7,9,12,19H,8,10-11H2,1-2H3,(H2,25,30);1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31);2*1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30)/t;12-,19-;;2*18-/m.1.10/s1.
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2196.04 g/mol, XLogP of 15.49, 23 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-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,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159508410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).