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

C128H138Cl6F10N18O23 — CID 159787398

IUPAC7-[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
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(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.NCC(Cl)=C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
InChIInChI=1S/C23H27ClFN3O4.C22H23ClF3N3O4.2C22H25ClFN3O4.C21H21ClF3N3O4.C18H17ClFN3O3/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;19-13(5-21)9-6-22(7-9)16-4-15-11(3-14(16)20)17(24)12(18(25)26)8-23(15)10-1-2-10/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);3-4,8,10H,1-2,5-7,21H2,(H,25,26)
InChIKeyNICVQNJUCBAREJ-UHFFFAOYSA-N
MW2699.31 g/mol
LogP21.36
Rot. Bonds35

About 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

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 (PubChem CID 159787398) has the molecular formula C128H138Cl6F10N18O23 and a molecular weight of 2699.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID159787398
Molecular FormulaC128H138Cl6F10N18O23
Molecular Weight2699.31 g/mol
Exact Mass2694.82
IUPAC Name7-[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
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(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.NCC(Cl)=C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
InChIInChI=1S/C23H27ClFN3O4.C22H23ClF3N3O4.2C22H25ClFN3O4.C21H21ClF3N3O4.C18H17ClFN3O3/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;19-13(5-21)9-6-22(7-9)16-4-15-11(3-14(16)20)17(24)12(18(25)26)8-23(15)10-1-2-10/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);3-4,8,10H,1-2,5-7,21H2,(H,25,26)
InChIKeyNICVQNJUCBAREJ-UHFFFAOYSA-N
XLogP21.36
TPSA535.54 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002699.31
LogP ≤ 521.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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Related Compounds

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
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
7-[(3S)-3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67727084
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10021363
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
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
7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11361110
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
7-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67800647
7-[(4E)-3-(aminomethyl)-4-methoxyiminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54583688

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(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.NCC(Cl)=C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1.
What is the InChIKey of 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?
The InChIKey is NICVQNJUCBAREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4.C22H23ClF3N3O4.2C22H25ClFN3O4.C21H21ClF3N3O4.C18H17ClFN3O3/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;19-13(5-21)9-6-22(7-9)16-4-15-11(3-14(16)20)17(24)12(18(25)26)8-23(15)10-1-2-10/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);3-4,8,10H,1-2,5-7,21H2,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 2699.31 g/mol, XLogP of 21.36, 35 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159787398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).