7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

C132H164F4N12O26 — CID 161035437

About 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (PubChem CID 161035437) has the molecular formula C132H164F4N12O26 and a molecular weight of 2410.81 g/mol. Its IUPAC name is 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
• PubChem CID: 161035437
• Molecular Formula: C132H164F4N12O26
• Molecular Weight: 2410.81 g/mol
• Exact Mass: 2409.18
• IUPAC Name: 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
• SMILES: COc1c(N2CC3CCCN(COC(=O)c4c(C)n(C5CC5)c5c(OC)c(N6CCN(COCC(=O)[C@@]7(O)CC[C@H]8[C@@H]9CCC%10=CC(=O)C=C[C@]%10(C)[C@H]9[C@@H](O)C[C@@]87C)C(C)C6)c(F)c(C)c5c4=O)C3C2)c(F)c(C)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12.COc1c(N2CC3CCCNC3C2)c(F)c(C)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12.COc1c(N2CCNC(C)C2)c(F)c(C)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
• InChI: InChI=1S/C67H82F2N6O13.C23H28FN3O4.C21H26FN3O4.C21H28O5/c1-33-27-70(23-24-71(33)31-87-30-47(78)67(84)21-19-44-43-17-12-39-25-42(76)18-20-65(39,6)52(43)46(77)26-66(44,67)7)57-53(68)35(3)49-56(61(57)85-8)75(41-15-16-41)37(5)51(60(49)80)64(83)88-32-72-22-10-11-38-28-73(29-45(38)72)58-54(69)34(2)48-55(62(58)86-9)74(40-13-14-40)36(4)50(59(48)79)63(81)82;1-11-16-19(27(14-6-7-14)12(2)17(21(16)28)23(29)30)22(31-3)20(18(11)24)26-9-13-5-4-8-25-15(13)10-26;1-10-9-24(8-7-23-10)18-16(22)11(2)14-17(20(18)29-4)25(13-5-6-13)12(3)15(19(14)26)21(27)28;1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h18,20,25,33,38,40-41,43-46,52,77,84H,10-17,19,21-24,26-32H2,1-9H3,(H,81,82);13-15,25H,4-10H2,1-3H3,(H,29,30);10,13,23H,5-9H2,1-4H3,(H,27,28);5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t33?,38?,43-,44-,45?,46-,52+,65-,66-,67-;;;14-,15-,16-,18+,19-,20-,21-/m0..0/s1
• InChIKey: UAEOXQSWHAVRBJ-OEOSSBHDSA-N
• XLogP: 15.13
• TPSA: 485.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.81
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?

The IUPAC name of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (CID 161035437) is 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.

What is the SMILES notation for 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?

The canonical SMILES for 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one is COc1c(N2CC3CCCN(COC(=O)c4c(C)n(C5CC5)c5c(OC)c(N6CCN(COCC(=O)[C@@]7(O)CC[C@H]8[C@@H]9CCC%10=CC(=O)C=C[C@]%10(C)[C@H]9[C@@H](O)C[C@@]87C)C(C)C6)c(F)c(C)c5c4=O)C3C2)c(F)c(C)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12.COc1c(N2CC3CCCNC3C2)c(F)c(C)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12.COc1c(N2CCNC(C)C2)c(F)c(C)c2c(=O)c(C(=O)O)c(C)n(C3CC3)c12.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.

What is the InChIKey of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?

The InChIKey is UAEOXQSWHAVRBJ-OEOSSBHDSA-N. The full InChI is InChI=1S/C67H82F2N6O13.C23H28FN3O4.C21H26FN3O4.C21H28O5/c1-33-27-70(23-24-71(33)31-87-30-47(78)67(84)21-19-44-43-17-12-39-25-42(76)18-20-65(39,6)52(43)46(77)26-66(44,67)7)57-53(68)35(3)49-56(61(57)85-8)75(41-15-16-41)37(5)51(60(49)80)64(83)88-32-72-22-10-11-38-28-73(29-45(38)72)58-54(69)34(2)48-55(62(58)86-9)74(40-13-14-40)36(4)50(59(48)79)63(81)82;1-11-16-19(27(14-6-7-14)12(2)17(21(16)28)23(29)30)22(31-3)20(18(11)24)26-9-13-5-4-8-25-15(13)10-26;1-10-9-24(8-7-23-10)18-16(22)11(2)14-17(20(18)29-4)25(13-5-6-13)12(3)15(19(14)26)21(27)28;1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h18,20,25,33,38,40-41,43-46,52,77,84H,10-17,19,21-24,26-32H2,1-9H3,(H,81,82);13-15,25H,4-10H2,1-3H3,(H,29,30);10,13,23H,5-9H2,1-4H3,(H,27,28);5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t33?,38?,43-,44-,45?,46-,52+,65-,66-,67-;;;14-,15-,16-,18+,19-,20-,21-/m0..0/s1.

What are the key properties of 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?

7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one has a molecular weight of 2410.81 g/mol, XLogP of 15.13, 25 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carbonyl]oxymethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-2,5-dimethyl-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methoxy-2,5-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 161035437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).