4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C113H108F12N24O8 — CID 159424893

IUPAC4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@@H](C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@H](C(F)(F)F)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(C(F)(F)F)nc4C3)cc2n1
InChIInChI=1S/C25H26FN3O2.C24H19F4N5O.C24H23FN6O.2C20H20F3N5O2/c26-19-4-2-18(3-5-19)21-14-23(24(27)30)28-22-13-17(1-6-20(21)22)15-29-10-7-25(8-11-29)9-12-31-16-25;25-16-4-2-15(3-5-16)18-10-20(23(29)34)30-19-9-14(1-6-17(18)19)11-32-7-8-33-12-21(24(26,27)28)31-22(33)13-32;25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31;2*1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h1-6,13-14H,7-12,15-16H2,(H2,27,30);1-6,9-10,12H,7-8,11,13H2,(H2,29,34);3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32);2*2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t;;;2*18-/m...10/s1
InChIKeyLQFNCFATNBUTDG-WQEBLNKESA-N
MW2158.24 g/mol
LogP17.08
Rot. Bonds21

About 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 159424893) has the molecular formula C113H108F12N24O8 and a molecular weight of 2158.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID159424893
Molecular FormulaC113H108F12N24O8
Molecular Weight2158.24 g/mol
Exact Mass2156.86
IUPAC Name4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@@H](C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@H](C(F)(F)F)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(C(F)(F)F)nc4C3)cc2n1
InChIInChI=1S/C25H26FN3O2.C24H19F4N5O.C24H23FN6O.2C20H20F3N5O2/c26-19-4-2-18(3-5-19)21-14-23(24(27)30)28-22-13-17(1-6-20(21)22)15-29-10-7-25(8-11-29)9-12-31-16-25;25-16-4-2-15(3-5-16)18-10-20(23(29)34)30-19-9-14(1-6-17(18)19)11-32-7-8-33-12-21(24(26,27)28)31-22(33)13-32;25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31;2*1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h1-6,13-14H,7-12,15-16H2,(H2,27,30);1-6,9-10,12H,7-8,11,13H2,(H2,29,34);3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32);2*2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t;;;2*18-/m...10/s1
InChIKeyLQFNCFATNBUTDG-WQEBLNKESA-N
XLogP17.08
TPSA407.96 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002158.24
LogP ≤ 517.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 159424893) is 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@@H](C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@H](C(F)(F)F)C4)ccc23)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(C(F)(F)F)nc4C3)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is LQFNCFATNBUTDG-WQEBLNKESA-N. The full InChI is InChI=1S/C25H26FN3O2.C24H19F4N5O.C24H23FN6O.2C20H20F3N5O2/c26-19-4-2-18(3-5-19)21-14-23(24(27)30)28-22-13-17(1-6-20(21)22)15-29-10-7-25(8-11-29)9-12-31-16-25;25-16-4-2-15(3-5-16)18-10-20(23(29)34)30-19-9-14(1-6-17(18)19)11-32-7-8-33-12-21(24(26,27)28)31-22(33)13-32;25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31;2*1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h1-6,13-14H,7-12,15-16H2,(H2,27,30);1-6,9-10,12H,7-8,11,13H2,(H2,29,34);3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32);2*2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t;;;2*18-/m...10/s1.
What are the key properties of 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2158.24 g/mol, XLogP of 17.08, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159424893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).