7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C137H184F5N19O32 — CID 161186366

IUPAC7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)O.COC(=O)c1cn(C2CC2)c2c(OC)c(N3CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C3)c(F)cc2c1=O.COC(=O)c1cn(C2CC2)c2c(OC)c(N3CCNC(C)C3)c(F)cc2c1=O.COc1c(N2CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCN(C(=O)C(N)CC(C)C)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C31H43FN4O7.C30H41FN4O7.C25H33FN4O5.C20H22FN3O5.C20H24FN3O4.C11H21NO4/c1-17(2)13-23(33-30(40)43-31(4,5)6)28(38)35-12-11-34(15-18(35)3)25-22(32)14-20-24(27(25)41-7)36(19-9-10-19)16-21(26(20)37)29(39)42-8;1-16(2)12-22(32-29(40)42-30(4,5)6)27(37)34-11-10-33(14-17(34)3)24-21(31)13-19-23(26(24)41-7)35(18-8-9-18)15-20(25(19)36)28(38)39;1-13(2)9-19(27)24(32)29-8-7-28(11-14(29)3)21-18(26)10-16-20(23(21)35-4)30(15-5-6-15)12-17(22(16)31)25(33)34;1-10-8-23(6-5-22-10)16-14(21)7-12-15(19(16)29-2)24(11-3-4-11)9-13(17(12)25)18(26)20(27)28;1-11-9-23(7-6-22-11)17-15(21)8-13-16(19(17)27-2)24(12-4-5-12)10-14(18(13)25)20(26)28-3;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h14,16-19,23H,9-13,15H2,1-8H3,(H,33,40);13,15-18,22H,8-12,14H2,1-7H3,(H,32,40)(H,38,39);10,12-15,19H,5-9,11,27H2,1-4H3,(H,33,34);7,9-11,22H,3-6,8H2,1-2H3,(H,27,28);8,10-12,22H,4-7,9H2,1-3H3;7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyUTDBQXFSQYBOQZ-UHFFFAOYSA-N
MW2704.07 g/mol
LogP16.63
Rot. Bonds36

About 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 161186366) has the molecular formula C137H184F5N19O32 and a molecular weight of 2704.07 g/mol. Its IUPAC name is 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID161186366
Molecular FormulaC137H184F5N19O32
Molecular Weight2704.07 g/mol
Exact Mass2702.33
IUPAC Name7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)O.COC(=O)c1cn(C2CC2)c2c(OC)c(N3CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C3)c(F)cc2c1=O.COC(=O)c1cn(C2CC2)c2c(OC)c(N3CCNC(C)C3)c(F)cc2c1=O.COc1c(N2CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCN(C(=O)C(N)CC(C)C)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C31H43FN4O7.C30H41FN4O7.C25H33FN4O5.C20H22FN3O5.C20H24FN3O4.C11H21NO4/c1-17(2)13-23(33-30(40)43-31(4,5)6)28(38)35-12-11-34(15-18(35)3)25-22(32)14-20-24(27(25)41-7)36(19-9-10-19)16-21(26(20)37)29(39)42-8;1-16(2)12-22(32-29(40)42-30(4,5)6)27(37)34-11-10-33(14-17(34)3)24-21(31)13-19-23(26(24)41-7)35(18-8-9-18)15-20(25(19)36)28(38)39;1-13(2)9-19(27)24(32)29-8-7-28(11-14(29)3)21-18(26)10-16-20(23(21)35-4)30(15-5-6-15)12-17(22(16)31)25(33)34;1-10-8-23(6-5-22-10)16-14(21)7-12-15(19(16)29-2)24(11-3-4-11)9-13(17(12)25)18(26)20(27)28;1-11-9-23(7-6-22-11)17-15(21)8-13-16(19(17)27-2)24(12-4-5-12)10-14(18(13)25)20(26)28-3;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h14,16-19,23H,9-13,15H2,1-8H3,(H,33,40);13,15-18,22H,8-12,14H2,1-7H3,(H,32,40)(H,38,39);10,12-15,19H,5-9,11,27H2,1-4H3,(H,33,34);7,9-11,22H,3-6,8H2,1-2H3,(H,27,28);8,10-12,22H,4-7,9H2,1-3H3;7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyUTDBQXFSQYBOQZ-UHFFFAOYSA-N
XLogP16.63
TPSA617.22 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002704.07
LogP ≤ 516.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

[2-[bis(diethoxyphosphoryl)methylamino]-2-oxoethyl] 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;[[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxyacetyl]amino]-phosphonomethyl]phosphonic acid
CID 160989562
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872
5-[1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carbonyl]oxy-2,2,4,4-tetramethylpentanoic acid
CID 144698372
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 53232608
methyl 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 143406870
formyloxymethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 144698365
ethyl 1-cyclopropyl-6-fluoro-7-[3-[2-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 67323001
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(2-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 54771367
S-[2-(methylamino)-2-oxoethyl] 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbothioate
CID 89381313
[4-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxy-1-dihydroxyphosphanylbutyl]phosphonous acid
CID 143406793
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771817
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 161186366) is 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O.COC(=O)c1cn(C2CC2)c2c(OC)c(N3CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C3)c(F)cc2c1=O.COC(=O)c1cn(C2CC2)c2c(OC)c(N3CCNC(C)C3)c(F)cc2c1=O.COc1c(N2CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCN(C(=O)C(N)CC(C)C)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is UTDBQXFSQYBOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43FN4O7.C30H41FN4O7.C25H33FN4O5.C20H22FN3O5.C20H24FN3O4.C11H21NO4/c1-17(2)13-23(33-30(40)43-31(4,5)6)28(38)35-12-11-34(15-18(35)3)25-22(32)14-20-24(27(25)41-7)36(19-9-10-19)16-21(26(20)37)29(39)42-8;1-16(2)12-22(32-29(40)42-30(4,5)6)27(37)34-11-10-33(14-17(34)3)24-21(31)13-19-23(26(24)41-7)35(18-8-9-18)15-20(25(19)36)28(38)39;1-13(2)9-19(27)24(32)29-8-7-28(11-14(29)3)21-18(26)10-16-20(23(21)35-4)30(15-5-6-15)12-17(22(16)31)25(33)34;1-10-8-23(6-5-22-10)16-14(21)7-12-15(19(16)29-2)24(11-3-4-11)9-13(17(12)25)18(26)20(27)28;1-11-9-23(7-6-22-11)17-15(21)8-13-16(19(17)27-2)24(12-4-5-12)10-14(18(13)25)20(26)28-3;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h14,16-19,23H,9-13,15H2,1-8H3,(H,33,40);13,15-18,22H,8-12,14H2,1-7H3,(H,32,40)(H,38,39);10,12-15,19H,5-9,11,27H2,1-4H3,(H,33,34);7,9-11,22H,3-6,8H2,1-2H3,(H,27,28);8,10-12,22H,4-7,9H2,1-3H3;7-8H,6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 2704.07 g/mol, XLogP of 16.63, 36 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-amino-4-methylpentanoyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-2-oxoacetic acid;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate;methyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 161186366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).