4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

C126H121F2N29O16 — CID 159089982

IUPAC4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.COCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.COCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.COCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H24N6O4.C26H24N6O3.C25H26FN5O3.C25H22N6O3.C24H25FN6O3/c1-34-9-10-36-23-14-21(18-5-7-27-25(13-18)35-2)31-22-12-19(3-4-20(22)23)26(33)28-15-17-6-8-32-24(11-17)29-16-30-32;1-17-11-19(5-7-27-17)22-14-24(35-10-9-34-2)21-4-3-20(13-23(21)31-22)26(33)28-15-18-6-8-32-25(12-18)29-16-30-32;1-16-21(30-31-29-16)4-3-11-27-25(32)18-7-10-20-23(14-18)28-22(15-24(20)34-13-12-33-2)17-5-8-19(26)9-6-17;1-3-34-22-13-20(17-6-8-26-24(12-17)33-2)30-21-11-18(4-5-19(21)22)25(32)27-14-16-7-9-31-23(10-16)28-15-29-31;1-4-34-22-12-21(17-11-23(33-3)27-13-18(17)25)28-20-10-15(7-8-16(20)22)24(32)26-9-5-6-19-14(2)29-31-30-19/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33);3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33);5-10,14-15H,3-4,11-13H2,1-2H3,(H,27,32)(H,29,30,31);4-13,15H,3,14H2,1-2H3,(H,27,32);7-8,10-13H,4-6,9H2,1-3H3,(H,26,32)(H,29,30,31)
InChIKeyKBXYYHRXRGOVAH-UHFFFAOYSA-N
MW2335.54 g/mol
LogP18.07
Rot. Bonds43

About 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (PubChem CID 159089982) has the molecular formula C126H121F2N29O16 and a molecular weight of 2335.54 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
PubChem CID159089982
Molecular FormulaC126H121F2N29O16
Molecular Weight2335.54 g/mol
Exact Mass2333.95
IUPAC Name4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.COCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.COCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.COCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H24N6O4.C26H24N6O3.C25H26FN5O3.C25H22N6O3.C24H25FN6O3/c1-34-9-10-36-23-14-21(18-5-7-27-25(13-18)35-2)31-22-12-19(3-4-20(22)23)26(33)28-15-17-6-8-32-24(11-17)29-16-30-32;1-17-11-19(5-7-27-17)22-14-24(35-10-9-34-2)21-4-3-20(13-23(21)31-22)26(33)28-15-18-6-8-32-25(12-18)29-16-30-32;1-16-21(30-31-29-16)4-3-11-27-25(32)18-7-10-20-23(14-18)28-22(15-24(20)34-13-12-33-2)17-5-8-19(26)9-6-17;1-3-34-22-13-20(17-6-8-26-24(12-17)33-2)30-21-11-18(4-5-19(21)22)25(32)27-14-16-7-9-31-23(10-16)28-15-29-31;1-4-34-22-12-21(17-11-23(33-3)27-13-18(17)25)28-20-10-15(7-8-16(20)22)24(32)26-9-5-6-19-14(2)29-31-30-19/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33);3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33);5-10,14-15H,3-4,11-13H2,1-2H3,(H,27,32)(H,29,30,31);4-13,15H,3,14H2,1-2H3,(H,27,32);7-8,10-13H,4-6,9H2,1-3H3,(H,26,32)(H,29,30,31)
InChIKeyKBXYYHRXRGOVAH-UHFFFAOYSA-N
XLogP18.07
TPSA536.75 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds43
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002335.54
LogP ≤ 518.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (CID 159089982) is 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.COCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.COCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.COCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.
What is the InChIKey of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The InChIKey is KBXYYHRXRGOVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4.C26H24N6O3.C25H26FN5O3.C25H22N6O3.C24H25FN6O3/c1-34-9-10-36-23-14-21(18-5-7-27-25(13-18)35-2)31-22-12-19(3-4-20(22)23)26(33)28-15-17-6-8-32-24(11-17)29-16-30-32;1-17-11-19(5-7-27-17)22-14-24(35-10-9-34-2)21-4-3-20(13-23(21)31-22)26(33)28-15-18-6-8-32-25(12-18)29-16-30-32;1-16-21(30-31-29-16)4-3-11-27-25(32)18-7-10-20-23(14-18)28-22(15-24(20)34-13-12-33-2)17-5-8-19(26)9-6-17;1-3-34-22-13-20(17-6-8-26-24(12-17)33-2)30-21-11-18(4-5-19(21)22)25(32)27-14-16-7-9-31-23(10-16)28-15-29-31;1-4-34-22-12-21(17-11-23(33-3)27-13-18(17)25)28-20-10-15(7-8-16(20)22)24(32)26-9-5-6-19-14(2)29-31-30-19/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33);3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33);5-10,14-15H,3-4,11-13H2,1-2H3,(H,27,32)(H,29,30,31);4-13,15H,3,14H2,1-2H3,(H,27,32);7-8,10-13H,4-6,9H2,1-3H3,(H,26,32)(H,29,30,31).
What are the key properties of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide has a molecular weight of 2335.54 g/mol, XLogP of 18.07, 43 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxyethoxy)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide;4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 159089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).