7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

C150H163Cl7F11N21O28 — CID 159706586

IUPAC7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1.CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1.CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1.COc1c(N2CC/C(=C(/Cl)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CC/C(=C(\Cl)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCC(=C(Cl)C(C)N)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.NCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1
InChIInChI=1S/C23H27ClFN3O4.C22H23ClF3N3O4.2C22H25ClFN3O4.C21H21ClF3N3O4.2C20H21ClFN3O4/c1-3-26-11-17(24)13-6-8-27(9-7-13)20-18(25)10-15-19(22(20)32-2)28(14-4-5-14)12-16(21(15)29)23(30)31;1-27-9-15(23)11-4-6-28(7-5-11)18-16(24)8-13-17(20(18)33-22(25)26)29(12-2-3-12)10-14(19(13)30)21(31)32;1-25-10-16(23)12-5-7-26(8-6-12)19-17(24)9-14-18(21(19)31-2)27(13-3-4-13)11-15(20(14)28)22(29)30;1-11(25)17(23)12-5-7-26(8-6-12)19-16(24)9-14-18(21(19)31-2)27(13-3-4-13)10-15(20(14)28)22(29)30;22-14(8-26)10-3-5-27(6-4-10)17-15(23)7-12-16(19(17)32-21(24)25)28(11-1-2-11)9-13(18(12)29)20(30)31;2*1-29-19-16-12(18(26)13(20(27)28)9-25(16)11-2-3-11)6-15(22)17(19)24-5-4-10(8-24)14(21)7-23/h10,12,14,26H,3-9,11H2,1-2H3,(H,30,31);8,10,12,22,27H,2-7,9H2,1H3,(H,31,32);9,11,13,25H,3-8,10H2,1-2H3,(H,29,30);9-11,13H,3-8,25H2,1-2H3,(H,29,30);7,9,11,21H,1-6,8,26H2,(H,30,31);2*6,9,11H,2-5,7-8,23H2,1H3,(H,27,28)/b;;;;;14-10+;14-10-
InChIKeyMYHDCTVWIKBYBU-MOUZZIQWSA-N
MW3165.22 g/mol
LogP24.60
Rot. Bonds41

About 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 159706586) has the molecular formula C150H163Cl7F11N21O28 and a molecular weight of 3165.22 g/mol. Its IUPAC name is 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID159706586
Molecular FormulaC150H163Cl7F11N21O28
Molecular Weight3165.22 g/mol
Exact Mass3159.96
IUPAC Name7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1.CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1.CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1.COc1c(N2CC/C(=C(/Cl)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CC/C(=C(\Cl)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCC(=C(Cl)C(C)N)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.NCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1
InChIInChI=1S/C23H27ClFN3O4.C22H23ClF3N3O4.2C22H25ClFN3O4.C21H21ClF3N3O4.2C20H21ClFN3O4/c1-3-26-11-17(24)13-6-8-27(9-7-13)20-18(25)10-15-19(22(20)32-2)28(14-4-5-14)12-16(21(15)29)23(30)31;1-27-9-15(23)11-4-6-28(7-5-11)18-16(24)8-13-17(20(18)33-22(25)26)29(12-2-3-12)10-14(19(13)30)21(31)32;1-25-10-16(23)12-5-7-26(8-6-12)19-17(24)9-14-18(21(19)31-2)27(13-3-4-13)11-15(20(14)28)22(29)30;1-11(25)17(23)12-5-7-26(8-6-12)19-16(24)9-14-18(21(19)31-2)27(13-3-4-13)10-15(20(14)28)22(29)30;22-14(8-26)10-3-5-27(6-4-10)17-15(23)7-12-16(19(17)32-21(24)25)28(11-1-2-11)9-13(18(12)29)20(30)31;2*1-29-19-16-12(18(26)13(20(27)28)9-25(16)11-2-3-11)6-15(22)17(19)24-5-4-10(8-24)14(21)7-23/h10,12,14,26H,3-9,11H2,1-2H3,(H,30,31);8,10,12,22,27H,2-7,9H2,1H3,(H,31,32);9,11,13,25H,3-8,10H2,1-2H3,(H,29,30);9-11,13H,3-8,25H2,1-2H3,(H,29,30);7,9,11,21H,1-6,8,26H2,(H,30,31);2*6,9,11H,2-5,7-8,23H2,1H3,(H,27,28)/b;;;;;14-10+;14-10-
InChIKeyMYHDCTVWIKBYBU-MOUZZIQWSA-N
XLogP24.60
TPSA642.56 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds41
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.22
LogP ≤ 524.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

7-[3-(2-amino-1-chloroethylidene)azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 159787398
7-[3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 67311435
1-cyclopropyl-6-fluoro-7-[4-(1-hydroxy-2-methoxyethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143016382
1-cyclopropyl-6-fluoro-7-[(3E)-3-[(5S)-1-fluoro-5-(methylamino)-4-oxohexylidene]piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 58344394
propan-2-yl 7-[3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;hydrochloride
CID 67311906
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
1-cyclopropyl-7-[(3E)-3-[2-[[(2S)-2,6-diaminohexanoyl]amino]-1-fluoroethylidene]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 67311241
1-cyclopropyl-7-[(3E)-3-[(5S)-5,9-diamino-1-fluoro-4-oxononylidene]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;dihydrochloride
CID 160803142
7-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67800647
ethyl 7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;hydrochloride
CID 67311806
7-[(4E)-3-(aminomethyl)-4-methoxyiminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54583688
7-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67925413

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 159706586) is 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is CCNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1.CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1.CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1.COc1c(N2CC/C(=C(/Cl)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CC/C(=C(\Cl)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCC(=C(Cl)C(C)N)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.NCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1.
What is the InChIKey of 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MYHDCTVWIKBYBU-MOUZZIQWSA-N. The full InChI is InChI=1S/C23H27ClFN3O4.C22H23ClF3N3O4.2C22H25ClFN3O4.C21H21ClF3N3O4.2C20H21ClFN3O4/c1-3-26-11-17(24)13-6-8-27(9-7-13)20-18(25)10-15-19(22(20)32-2)28(14-4-5-14)12-16(21(15)29)23(30)31;1-27-9-15(23)11-4-6-28(7-5-11)18-16(24)8-13-17(20(18)33-22(25)26)29(12-2-3-12)10-14(19(13)30)21(31)32;1-25-10-16(23)12-5-7-26(8-6-12)19-17(24)9-14-18(21(19)31-2)27(13-3-4-13)11-15(20(14)28)22(29)30;1-11(25)17(23)12-5-7-26(8-6-12)19-16(24)9-14-18(21(19)31-2)27(13-3-4-13)10-15(20(14)28)22(29)30;22-14(8-26)10-3-5-27(6-4-10)17-15(23)7-12-16(19(17)32-21(24)25)28(11-1-2-11)9-13(18(12)29)20(30)31;2*1-29-19-16-12(18(26)13(20(27)28)9-25(16)11-2-3-11)6-15(22)17(19)24-5-4-10(8-24)14(21)7-23/h10,12,14,26H,3-9,11H2,1-2H3,(H,30,31);8,10,12,22,27H,2-7,9H2,1H3,(H,31,32);9,11,13,25H,3-8,10H2,1-2H3,(H,29,30);9-11,13H,3-8,25H2,1-2H3,(H,29,30);7,9,11,21H,1-6,8,26H2,(H,30,31);2*6,9,11H,2-5,7-8,23H2,1H3,(H,27,28)/b;;;;;14-10+;14-10-.
What are the key properties of 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 3165.22 g/mol, XLogP of 24.60, 41 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-amino-1-chloroethylidene)piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[(3Z)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[(3E)-3-(2-amino-1-chloroethylidene)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-(2-amino-1-chloropropylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(ethylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-[4-[1-chloro-2-(methylamino)ethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 159706586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).