7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide

C104H93F11N16O7 — CID 161061710

IUPAC7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide
SMILESCON(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(F)(F)F)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@@H](F)C3)cc2n1
InChIInChI=1S/C22H19F4N3O.C21H18F3N3O.C21H19F2N3O.C21H19FN4O2.C19H18FN3O2/c23-15-6-4-14(5-7-15)17-11-19(21(27)30)28-18-10-13(3-8-16(17)18)12-29-9-1-2-20(29)22(24,25)26;22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27;22-15-4-2-14(3-5-15)18-10-20(21(24)27)25-19-9-13(1-6-17(18)19)11-26-8-7-16(23)12-26;22-15-4-2-14(3-5-15)17-10-19(21(23)28)25-18-9-13(1-6-16(17)18)11-26-8-7-24-20(27)12-26;1-23(25-2)11-12-3-8-15-16(13-4-6-14(20)7-5-13)10-18(19(21)24)22-17(15)9-12/h3-8,10-11,20H,1-2,9,12H2,(H2,27,30);1-6,9-10H,7-8,11-12H2,(H2,25,28);1-6,9-10,16H,7-8,11-12H2,(H2,24,27);1-6,9-10H,7-8,11-12H2,(H2,23,28)(H,24,27);3-10H,11H2,1-2H3,(H2,21,24)/t;;16-;;/m..1../s1
InChIKeyUDMDDRSXJUTZED-DCLDFRDVSA-N
MW1887.97 g/mol
LogP17.54
Rot. Bonds21

About 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide

7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide (PubChem CID 161061710) has the molecular formula C104H93F11N16O7 and a molecular weight of 1887.97 g/mol. Its IUPAC name is 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide
PubChem CID161061710
Molecular FormulaC104H93F11N16O7
Molecular Weight1887.97 g/mol
Exact Mass1886.72
IUPAC Name7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide
SMILESCON(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(F)(F)F)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@@H](F)C3)cc2n1
InChIInChI=1S/C22H19F4N3O.C21H18F3N3O.C21H19F2N3O.C21H19FN4O2.C19H18FN3O2/c23-15-6-4-14(5-7-15)17-11-19(21(27)30)28-18-10-13(3-8-16(17)18)12-29-9-1-2-20(29)22(24,25)26;22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27;22-15-4-2-14(3-5-15)18-10-20(21(24)27)25-19-9-13(1-6-17(18)19)11-26-8-7-16(23)12-26;22-15-4-2-14(3-5-15)17-10-19(21(23)28)25-18-9-13(1-6-16(17)18)11-26-8-7-24-20(27)12-26;1-23(25-2)11-12-3-8-15-16(13-4-6-14(20)7-5-13)10-18(19(21)24)22-17(15)9-12/h3-8,10-11,20H,1-2,9,12H2,(H2,27,30);1-6,9-10H,7-8,11-12H2,(H2,25,28);1-6,9-10,16H,7-8,11-12H2,(H2,24,27);1-6,9-10H,7-8,11-12H2,(H2,23,28)(H,24,27);3-10H,11H2,1-2H3,(H2,21,24)/t;;16-;;/m..1../s1
InChIKeyUDMDDRSXJUTZED-DCLDFRDVSA-N
XLogP17.54
TPSA334.43 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.97
LogP ≤ 517.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide (CID 161061710) is 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide is CON(C)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3C(F)(F)F)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(=O)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@@H](F)C3)cc2n1.
What is the InChIKey of 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide?
The InChIKey is UDMDDRSXJUTZED-DCLDFRDVSA-N. The full InChI is InChI=1S/C22H19F4N3O.C21H18F3N3O.C21H19F2N3O.C21H19FN4O2.C19H18FN3O2/c23-15-6-4-14(5-7-15)17-11-19(21(27)30)28-18-10-13(3-8-16(17)18)12-29-9-1-2-20(29)22(24,25)26;22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27;22-15-4-2-14(3-5-15)18-10-20(21(24)27)25-19-9-13(1-6-17(18)19)11-26-8-7-16(23)12-26;22-15-4-2-14(3-5-15)17-10-19(21(23)28)25-18-9-13(1-6-16(17)18)11-26-8-7-24-20(27)12-26;1-23(25-2)11-12-3-8-15-16(13-4-6-14(20)7-5-13)10-18(19(21)24)22-17(15)9-12/h3-8,10-11,20H,1-2,9,12H2,(H2,27,30);1-6,9-10H,7-8,11-12H2,(H2,25,28);1-6,9-10,16H,7-8,11-12H2,(H2,24,27);1-6,9-10H,7-8,11-12H2,(H2,23,28)(H,24,27);3-10H,11H2,1-2H3,(H2,21,24)/t;;16-;;/m..1../s1.
What are the key properties of 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide?
7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide has a molecular weight of 1887.97 g/mol, XLogP of 17.54, 21 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[methoxy(methyl)amino]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(3-oxopiperazin-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 161061710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).