(4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

C37H48N4O9 — CID 11193299

About (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

(4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (PubChem CID 11193299) has the molecular formula C37H48N4O9 and a molecular weight of 692.81 g/mol. Its IUPAC name is (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
• PubChem CID: 11193299
• Molecular Formula: C37H48N4O9
• Molecular Weight: 692.81 g/mol
• Exact Mass: 692.34
• IUPAC Name: (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
• SMILES: CCOc1cc(O[C@@H]2CC3C(=O)N[C@]4(C(=O)O)C[C@@H]4/C=C\CC[C@@H](C)CC[C@H](NC(=O)OC4CCCC4)C(=O)N3C2)c2ccc(OC)cc2n1
• InChI: InChI=1S/C37H48N4O9/c1-4-48-32-19-31(27-15-14-25(47-3)17-29(27)38-32)49-26-18-30-33(42)40-37(35(44)45)20-23(37)10-6-5-9-22(2)13-16-28(34(43)41(30)21-26)39-36(46)50-24-11-7-8-12-24/h6,10,14-15,17,19,22-24,26,28,30H,4-5,7-9,11-13,16,18,20-21H2,1-3H3,(H,39,46)(H,40,42)(H,44,45)/b10-6-/t22-,23+,26-,28+,30?,37-/m1/s1
• InChIKey: SRMZLUYIVZEIAK-QMCPFKJYSA-N
• XLogP: 4.75
• TPSA: 165.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	692.81
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

The IUPAC name of (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (CID 11193299) is (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.

What is the SMILES notation for (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

The canonical SMILES for (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is CCOc1cc(O[C@@H]2CC3C(=O)N[C@]4(C(=O)O)C[C@@H]4/C=C\CC[C@@H](C)CC[C@H](NC(=O)OC4CCCC4)C(=O)N3C2)c2ccc(OC)cc2n1.

What is the InChIKey of (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

The InChIKey is SRMZLUYIVZEIAK-QMCPFKJYSA-N. The full InChI is InChI=1S/C37H48N4O9/c1-4-48-32-19-31(27-15-14-25(47-3)17-29(27)38-32)49-26-18-30-33(42)40-37(35(44)45)20-23(37)10-6-5-9-22(2)13-16-28(34(43)41(30)21-26)39-36(46)50-24-11-7-8-12-24/h6,10,14-15,17,19,22-24,26,28,30H,4-5,7-9,11-13,16,18,20-21H2,1-3H3,(H,39,46)(H,40,42)(H,44,45)/b10-6-/t22-,23+,26-,28+,30?,37-/m1/s1.

What are the key properties of (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

(4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid has a molecular weight of 692.81 g/mol, XLogP of 4.75, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R,7Z,11R,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-(2-ethoxy-7-methoxyquinolin-4-yl)oxy-11-methyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is sourced from PubChem (CID 11193299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).