4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide

C118H111F4N19O10S — CID 159001687

IUPAC4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3ccn[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3cn[nH]c3)ccc12.CCOc1cc(SCC)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.[C-]#[N+]c1ccc(CCNC(=O)c2ccc3c(OCC)cc(-c4ccc(F)cc4)nc3c2)cc1
InChIInChI=1S/C27H22FN3O2.C25H23FN4O2.2C23H21FN4O2.C20H24N4O2S/c1-3-33-26-17-24(19-6-9-21(28)10-7-19)31-25-16-20(8-13-23(25)26)27(32)30-15-14-18-4-11-22(29-2)12-5-18;1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24;1-2-30-22-14-20(15-3-6-17(24)7-4-15)27-21-13-16(5-8-19(21)22)23(29)25-11-9-18-10-12-26-28-18;1-2-30-22-12-20(16-3-6-18(24)7-4-16)28-21-11-17(5-8-19(21)22)23(29)25-10-9-15-13-26-27-14-15;1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h4-13,16-17H,3,14-15H2,1H3,(H,30,32);3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31);3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,26,28);3-8,11-14H,2,9-10H2,1H3,(H,25,29)(H,26,27);7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyJRKIIDSSZACEPD-UHFFFAOYSA-N
MW2063.37 g/mol
LogP22.76
Rot. Bonds37

About 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide

4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide (PubChem CID 159001687) has the molecular formula C118H111F4N19O10S and a molecular weight of 2063.37 g/mol. Its IUPAC name is 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
PubChem CID159001687
Molecular FormulaC118H111F4N19O10S
Molecular Weight2063.37 g/mol
Exact Mass2061.84
IUPAC Name4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3ccn[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3cn[nH]c3)ccc12.CCOc1cc(SCC)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.[C-]#[N+]c1ccc(CCNC(=O)c2ccc3c(OCC)cc(-c4ccc(F)cc4)nc3c2)cc1
InChIInChI=1S/C27H22FN3O2.C25H23FN4O2.2C23H21FN4O2.C20H24N4O2S/c1-3-33-26-17-24(19-6-9-21(28)10-7-19)31-25-16-20(8-13-23(25)26)27(32)30-15-14-18-4-11-22(29-2)12-5-18;1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24;1-2-30-22-14-20(15-3-6-17(24)7-4-15)27-21-13-16(5-8-19(21)22)23(29)25-11-9-18-10-12-26-28-18;1-2-30-22-12-20(16-3-6-18(24)7-4-16)28-21-11-17(5-8-19(21)22)23(29)25-10-9-15-13-26-27-14-15;1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h4-13,16-17H,3,14-15H2,1H3,(H,30,32);3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31);3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,26,28);3-8,11-14H,2,9-10H2,1H3,(H,25,29)(H,26,27);7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyJRKIIDSSZACEPD-UHFFFAOYSA-N
XLogP22.76
TPSA375.18 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002063.37
LogP ≤ 522.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide with MolForge

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Related Compounds

4-ethoxy-2-(4-fluorophenyl)-N-[[(1R,2R)-2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
CID 122424034
2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423973
4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431466
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(1H-pyrazol-4-ylmethoxy)quinoxaline-6-carboxamide
CID 118463744
4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 146259096
N-[2,2-difluoro-3-(1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-(4-fluorophenyl)quinoline-7-carboxamide
CID 122431668
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
2-cyclobutyloxy-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 123784850
N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 122431453
4-ethoxy-2-(4-fluorophenyl)-N-[(3Z)-3-hydrazinylidene-4-iminopentyl]quinoline-7-carboxamide
CID 145126632

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide (CID 159001687) is 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3ccn[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3cn[nH]c3)ccc12.CCOc1cc(SCC)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.[C-]#[N+]c1ccc(CCNC(=O)c2ccc3c(OCC)cc(-c4ccc(F)cc4)nc3c2)cc1.
What is the InChIKey of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is JRKIIDSSZACEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O2.C25H23FN4O2.2C23H21FN4O2.C20H24N4O2S/c1-3-33-26-17-24(19-6-9-21(28)10-7-19)31-25-16-20(8-13-23(25)26)27(32)30-15-14-18-4-11-22(29-2)12-5-18;1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24;1-2-30-22-14-20(15-3-6-17(24)7-4-15)27-21-13-16(5-8-19(21)22)23(29)25-11-9-18-10-12-26-28-18;1-2-30-22-12-20(16-3-6-18(24)7-4-16)28-21-11-17(5-8-19(21)22)23(29)25-10-9-15-13-26-27-14-15;1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h4-13,16-17H,3,14-15H2,1H3,(H,30,32);3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31);3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,26,28);3-8,11-14H,2,9-10H2,1H3,(H,25,29)(H,26,27);7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 2063.37 g/mol, XLogP of 22.76, 37 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethylsulfanyl-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(4-isocyanophenyl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 159001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).