1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide

C139H152Cl5F10N23O20 — CID 165024708

IUPAC1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
SMILESC=CC1CC1n1cc(C(=O)NN2CCN(CC(O)COc3ccc(C)c(F)c3)CC2)c(=O)c2cc(F)c(Cl)cc21.C=CC1CC1n1cc(C(=O)NN2CCN(C[C@@H](O)COc3ccc(C)c(F)c3)CC2)c(=O)c2cc(F)c(Cl)cc21.Cc1ccc(OCC(O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@@H](O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@H](O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F
InChIInChI=1S/2C29H31ClF2N4O4.3C27H30ClF2N5O4/c2*1-3-18-10-26(18)36-15-22(28(38)21-12-25(32)23(30)13-27(21)36)29(39)33-35-8-6-34(7-9-35)14-19(37)16-40-20-5-4-17(2)24(31)11-20;3*1-16-2-3-18(10-22(16)29)39-15-17(36)13-33-6-8-34(9-7-33)32-26(38)20-14-35(27(31)4-5-27)24-12-21(28)23(30)11-19(24)25(20)37/h2*3-5,11-13,15,18-19,26,37H,1,6-10,14,16H2,2H3,(H,33,39);3*2-3,10-12,14,17,36H,4-9,13,15,31H2,1H3,(H,32,38)/t18?,19-,26?;;2*17-;/m1.10./s1
InChIKeyLRRQKUKEXGEGQD-OTZMPPEXSA-N
MW2832.13 g/mol
LogP14.43
Rot. Bonds42

About 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide

1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide (PubChem CID 165024708) has the molecular formula C139H152Cl5F10N23O20 and a molecular weight of 2832.13 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
PubChem CID165024708
Molecular FormulaC139H152Cl5F10N23O20
Molecular Weight2832.13 g/mol
Exact Mass2827.99
IUPAC Name1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
SMILESC=CC1CC1n1cc(C(=O)NN2CCN(CC(O)COc3ccc(C)c(F)c3)CC2)c(=O)c2cc(F)c(Cl)cc21.C=CC1CC1n1cc(C(=O)NN2CCN(C[C@@H](O)COc3ccc(C)c(F)c3)CC2)c(=O)c2cc(F)c(Cl)cc21.Cc1ccc(OCC(O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@@H](O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@H](O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F
InChIInChI=1S/2C29H31ClF2N4O4.3C27H30ClF2N5O4/c2*1-3-18-10-26(18)36-15-22(28(38)21-12-25(32)23(30)13-27(21)36)29(39)33-35-8-6-34(7-9-35)14-19(37)16-40-20-5-4-17(2)24(31)11-20;3*1-16-2-3-18(10-22(16)29)39-15-17(36)13-33-6-8-34(9-7-33)32-26(38)20-14-35(27(31)4-5-27)24-12-21(28)23(30)11-19(24)25(20)37/h2*3-5,11-13,15,18-19,26,37H,1,6-10,14,16H2,2H3,(H,33,39);3*2-3,10-12,14,17,36H,4-9,13,15,31H2,1H3,(H,32,38)/t18?,19-,26?;;2*17-;/m1.10./s1
InChIKeyLRRQKUKEXGEGQD-OTZMPPEXSA-N
XLogP14.43
TPSA513.26 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002832.13
LogP ≤ 514.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-1-cyclobutyl-6-fluoro-N-[1-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide
CID 165007868
7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide
CID 165023564
7-chloro-1-cyclobutyl-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclobutyl-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[[(6-methylquinoline-2-carbonyl)amino]methyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-(6-methylquinolin-2-yl)-2-oxoethyl]cyclohexyl]-4-oxoquinoline-3-carboxamide;N-[[4-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]cyclohexyl]methyl]-5-methyl-1,3-benzothiazole-2-carboxamide
CID 164962868
7-chloro-1-cyclopropyl-6-fluoro-N-[4-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide
CID 155401502
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
7-chloro-1-cyclopropyl-6-fluoro-N-[1-[3-(3-fluoro-4-methylphenoxy)propyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide
CID 164967058
5-chloro-N-[4-[(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfane
CID 163457714
2-(3-fluoro-4-methylphenoxy)-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 153373094
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
7-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]cyclohexyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155386722
1-(4-chloro-3-fluorophenoxy)-3-(4-nitrosopiperazin-1-yl)propan-2-ol
CID 146458065
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide (CID 165024708) is 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide is C=CC1CC1n1cc(C(=O)NN2CCN(CC(O)COc3ccc(C)c(F)c3)CC2)c(=O)c2cc(F)c(Cl)cc21.C=CC1CC1n1cc(C(=O)NN2CCN(C[C@@H](O)COc3ccc(C)c(F)c3)CC2)c(=O)c2cc(F)c(Cl)cc21.Cc1ccc(OCC(O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@@H](O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.Cc1ccc(OC[C@H](O)CN2CCN(NC(=O)c3cn(C4(N)CC4)c4cc(Cl)c(F)cc4c3=O)CC2)cc1F.
What is the InChIKey of 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide?
The InChIKey is LRRQKUKEXGEGQD-OTZMPPEXSA-N. The full InChI is InChI=1S/2C29H31ClF2N4O4.3C27H30ClF2N5O4/c2*1-3-18-10-26(18)36-15-22(28(38)21-12-25(32)23(30)13-27(21)36)29(39)33-35-8-6-34(7-9-35)14-19(37)16-40-20-5-4-17(2)24(31)11-20;3*1-16-2-3-18(10-22(16)29)39-15-17(36)13-33-6-8-34(9-7-33)32-26(38)20-14-35(27(31)4-5-27)24-12-21(28)23(30)11-19(24)25(20)37/h2*3-5,11-13,15,18-19,26,37H,1,6-10,14,16H2,2H3,(H,33,39);3*2-3,10-12,14,17,36H,4-9,13,15,31H2,1H3,(H,32,38)/t18?,19-,26?;;2*17-;/m1.10./s1.
What are the key properties of 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide?
1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide has a molecular weight of 2832.13 g/mol, XLogP of 14.43, 42 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2S)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;1-(1-aminocyclopropyl)-7-chloro-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[(2R)-3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide;7-chloro-1-(2-ethenylcyclopropyl)-6-fluoro-N-[4-[3-(3-fluoro-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 165024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).