10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C125H140F2N24O10 — CID 158002817

IUPAC10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCCN(CC)CCNc1ccc2nc(C)n3c4ccc(F)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23.COc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3nc(C)n2c31.Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23.Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23
InChIInChI=1S/C22H26N4O2.C21H23FN4O.2C21H24N4O2.C20H21FN4O.C20H22N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18;1-4-25(5-2)11-10-23-16-7-8-17-20-19(16)21(27)15-12-14(22)6-9-18(15)26(20)13(3)24-17;1-13-23-17-8-7-16(22-10-5-11-24(2)3)19-20(17)25(13)18-9-6-14(27-4)12-15(18)21(19)26;1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17;1-12-23-16-7-6-15(22-9-4-10-24(2)3)18-19(16)25(12)17-8-5-13(21)11-14(17)20(18)26;1-12-22-16-7-6-15(21-9-4-10-23(2)3)18-19(16)24(12)17-8-5-13(25)11-14(17)20(18)26/h7-10,13,23H,5-6,11-12H2,1-4H3;6-9,12,23H,4-5,10-11H2,1-3H3;6-9,12,22H,5,10-11H2,1-4H3;6-9,12,22,26H,4-5,10-11H2,1-3H3;5-8,11,22H,4,9-10H2,1-3H3;5-8,11,21,25H,4,9-10H2,1-3H3
InChIKeyFDXYVDNSELOQSA-UHFFFAOYSA-N
MW2176.65 g/mol
LogP19.54
Rot. Bonds35

About 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (PubChem CID 158002817) has the molecular formula C125H140F2N24O10 and a molecular weight of 2176.65 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

Molecular Properties

Compound Name10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
PubChem CID158002817
Molecular FormulaC125H140F2N24O10
Molecular Weight2176.65 g/mol
Exact Mass2175.12
IUPAC Name10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCCN(CC)CCNc1ccc2nc(C)n3c4ccc(F)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23.COc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3nc(C)n2c31.Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23.Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23
InChIInChI=1S/C22H26N4O2.C21H23FN4O.2C21H24N4O2.C20H21FN4O.C20H22N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18;1-4-25(5-2)11-10-23-16-7-8-17-20-19(16)21(27)15-12-14(22)6-9-18(15)26(20)13(3)24-17;1-13-23-17-8-7-16(22-10-5-11-24(2)3)19-20(17)25(13)18-9-6-14(27-4)12-15(18)21(19)26;1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17;1-12-23-16-7-6-15(22-9-4-10-24(2)3)18-19(16)25(12)17-8-5-13(21)11-14(17)20(18)26;1-12-22-16-7-6-15(21-9-4-10-23(2)3)18-19(16)24(12)17-8-5-13(25)11-14(17)20(18)26/h7-10,13,23H,5-6,11-12H2,1-4H3;6-9,12,23H,4-5,10-11H2,1-3H3;6-9,12,22H,5,10-11H2,1-4H3;6-9,12,22,26H,4-5,10-11H2,1-3H3;5-8,11,22H,4,9-10H2,1-3H3;5-8,11,21,25H,4,9-10H2,1-3H3
InChIKeyFDXYVDNSELOQSA-UHFFFAOYSA-N
XLogP19.54
TPSA356.76 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002176.65
LogP ≤ 519.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The IUPAC name of 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (CID 158002817) is 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.
What is the SMILES notation for 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The canonical SMILES for 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is CCN(CC)CCNc1ccc2nc(C)n3c4ccc(F)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23.CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23.COc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3nc(C)n2c31.Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23.Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23.
What is the InChIKey of 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The InChIKey is FDXYVDNSELOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.C21H23FN4O.2C21H24N4O2.C20H21FN4O.C20H22N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18;1-4-25(5-2)11-10-23-16-7-8-17-20-19(16)21(27)15-12-14(22)6-9-18(15)26(20)13(3)24-17;1-13-23-17-8-7-16(22-10-5-11-24(2)3)19-20(17)25(13)18-9-6-14(27-4)12-15(18)21(19)26;1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17;1-12-23-16-7-6-15(22-9-4-10-24(2)3)18-19(16)25(12)17-8-5-13(21)11-14(17)20(18)26;1-12-22-16-7-6-15(21-9-4-10-23(2)3)18-19(16)24(12)17-8-5-13(25)11-14(17)20(18)26/h7-10,13,23H,5-6,11-12H2,1-4H3;6-9,12,23H,4-5,10-11H2,1-3H3;6-9,12,22H,5,10-11H2,1-4H3;6-9,12,22,26H,4-5,10-11H2,1-3H3;5-8,11,22H,4,9-10H2,1-3H3;5-8,11,21,25H,4,9-10H2,1-3H3.
What are the key properties of 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one has a molecular weight of 2176.65 g/mol, XLogP of 19.54, 35 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[2-(diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-fluoro-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;10-[3-(dimethylamino)propylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is sourced from PubChem (CID 158002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).