19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide

C43H43N5O5S — CID 163864886

About 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide

19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide (PubChem CID 163864886) has the molecular formula C43H43N5O5S and a molecular weight of 741.91 g/mol. Its IUPAC name is 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide.

Molecular Properties

• Compound Name: 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide
• PubChem CID: 163864886
• Molecular Formula: C43H43N5O5S
• Molecular Weight: 741.91 g/mol
• Exact Mass: 741.30
• IUPAC Name: 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide
• SMILES: COc1ccc2c(c1)C1=CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)c3cccc4cccnc34)cc21
• InChI: InChI=1S/C43H43N5O5S/c1-46-23-29-14-15-30(24-46)48(29)42(50)43-22-35(43)34-21-31(53-2)16-18-32(34)40-38(26-8-4-3-5-9-26)33-17-13-28(20-36(33)47(40)25-43)41(49)45-54(51,52)37-12-6-10-27-11-7-19-44-39(27)37/h6-7,10-13,16-22,26,29-30H,3-5,8-9,14-15,23-25H2,1-2H3,(H,45,49)
• InChIKey: PFUJCGFQCJRHOP-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.91
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide?

The IUPAC name of 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide (CID 163864886) is 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide.

What is the SMILES notation for 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide?

The canonical SMILES for 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide is COc1ccc2c(c1)C1=CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)c3cccc4cccnc34)cc21.

What is the InChIKey of 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide?

The InChIKey is PFUJCGFQCJRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N5O5S/c1-46-23-29-14-15-30(24-46)48(29)42(50)43-22-35(43)34-21-31(53-2)16-18-32(34)40-38(26-8-4-3-5-9-26)33-17-13-28(20-36(33)47(40)25-43)41(49)45-54(51,52)37-12-6-10-27-11-7-19-44-39(27)37/h6-7,10-13,16-22,26,29-30H,3-5,8-9,14-15,23-25H2,1-2H3,(H,45,49).

What are the key properties of 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide?

19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide has a molecular weight of 741.91 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-quinolin-8-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide is sourced from PubChem (CID 163864886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).