7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C113H124F6N22O7 — CID 158997711

IUPAC7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.C[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN4CCC[C@@H]4C3)cc2n1
InChIInChI=1S/C24H25FN4O.C23H22F4N4O.C23H29N5O2.C22H23FN4O.C21H25N5O2/c25-18-6-4-17(5-7-18)21-13-23(24(26)30)27-22-12-16(3-8-20(21)22)14-28-10-11-29-9-1-2-19(29)15-28;1-13-10-29-21(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;1-15(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;1-14-12-27(9-8-25-14)13-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)28)26-20(18)10-15;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/h3-8,12-13,19H,1-2,9-11,14-15H2,(H2,26,30);2-9,13,21,29H,10-12H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);2-7,10-11,14,25H,8-9,12-13H2,1H3,(H2,24,28);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)/t19-;13-,21?;;14-;/m11.0./s1
InChIKeyJQYIPDPCMJDMSB-SEWUEVIUSA-N
MW2016.37 g/mol
LogP15.54
Rot. Bonds23

About 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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 158997711) has the molecular formula C113H124F6N22O7 and a molecular weight of 2016.37 g/mol. Its IUPAC name is 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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 CID158997711
Molecular FormulaC113H124F6N22O7
Molecular Weight2016.37 g/mol
Exact Mass2014.99
IUPAC Name7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.C[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN4CCC[C@@H]4C3)cc2n1
InChIInChI=1S/C24H25FN4O.C23H22F4N4O.C23H29N5O2.C22H23FN4O.C21H25N5O2/c25-18-6-4-17(5-7-18)21-13-23(24(26)30)27-22-12-16(3-8-20(21)22)14-28-10-11-29-9-1-2-19(29)15-28;1-13-10-29-21(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;1-15(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;1-14-12-27(9-8-25-14)13-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)28)26-20(18)10-15;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/h3-8,12-13,19H,1-2,9-11,14-15H2,(H2,26,30);2-9,13,21,29H,10-12H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);2-7,10-11,14,25H,8-9,12-13H2,1H3,(H2,24,28);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)/t19-;13-,21?;;14-;/m11.0./s1
InChIKeyJQYIPDPCMJDMSB-SEWUEVIUSA-N
XLogP15.54
TPSA377.50 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.37
LogP ≤ 515.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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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Launch Full Analysis

Related Compounds

(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
5-[[5-[4-[4-[8-[3,5-Difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-5-oxopentyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155177618
5-[[8-[4-[4-[8-[3,5-Difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-8-oxooctyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162646482
5-[[6-[4-[4-[8-[3,5-Difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162672899
(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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554925
4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554961
4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554964
4-(1-Propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554978
Quinoline derivative 8
CID 89545213
5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]pyridine-2-carboxamide
CID 172446254
5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]pyridine-2-carboxamide
CID 172469347

Frequently Asked Questions

What is the IUPAC name of 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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 158997711) is 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.C[C@H]1CN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CCN1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN4CCC[C@@H]4C3)cc2n1.
What is the InChIKey of 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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 JQYIPDPCMJDMSB-SEWUEVIUSA-N. The full InChI is InChI=1S/C24H25FN4O.C23H22F4N4O.C23H29N5O2.C22H23FN4O.C21H25N5O2/c25-18-6-4-17(5-7-18)21-13-23(24(26)30)27-22-12-16(3-8-20(21)22)14-28-10-11-29-9-1-2-19(29)15-28;1-13-10-29-21(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;1-15(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;1-14-12-27(9-8-25-14)13-15-2-7-18-19(16-3-5-17(23)6-4-16)11-21(22(24)28)26-20(18)10-15;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/h3-8,12-13,19H,1-2,9-11,14-15H2,(H2,26,30);2-9,13,21,29H,10-12H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);2-7,10-11,14,25H,8-9,12-13H2,1H3,(H2,24,28);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27)/t19-;13-,21?;;14-;/m11.0./s1.
What are the key properties of 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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 2016.37 g/mol, XLogP of 15.54, 23 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(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 158997711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).