7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C46H41N3O5 — CID 56630062

IUPAC7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESCCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(O)c2ncccc12)C5=O
InChIInChI=1S/C46H41N3O5/c1-3-5-7-9-12-26(13-10-8-6-4-2)48-43(51)32-19-15-27-29-17-21-34-41-35(22-18-30(39(29)41)28-16-20-33(44(48)52)40(32)38(27)28)46(54)49(45(34)53)36-23-24-37(50)42-31(36)14-11-25-47-42/h11,14-26,50H,3-10,12-13H2,1-2H3
InChIKeyIKGHROMGVLBABU-UHFFFAOYSA-N
MW715.85 g/mol
LogP10.70
Rot. Bonds12

About 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 56630062) has the molecular formula C46H41N3O5 and a molecular weight of 715.85 g/mol. Its IUPAC name is 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
PubChem CID56630062
Molecular FormulaC46H41N3O5
Molecular Weight715.85 g/mol
Exact Mass715.30
IUPAC Name7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESCCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(O)c2ncccc12)C5=O
InChIInChI=1S/C46H41N3O5/c1-3-5-7-9-12-26(13-10-8-6-4-2)48-43(51)32-19-15-27-29-17-21-34-41-35(22-18-30(39(29)41)28-16-20-33(44(48)52)40(32)38(27)28)46(54)49(45(34)53)36-23-24-37(50)42-31(36)14-11-25-47-42/h11,14-26,50H,3-10,12-13H2,1-2H3
InChIKeyIKGHROMGVLBABU-UHFFFAOYSA-N
XLogP10.70
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.85
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 56630062) is 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(O)c2ncccc12)C5=O.
What is the InChIKey of 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The InChIKey is IKGHROMGVLBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N3O5/c1-3-5-7-9-12-26(13-10-8-6-4-2)48-43(51)32-19-15-27-29-17-21-34-41-35(22-18-30(39(29)41)28-16-20-33(44(48)52)40(32)38(27)28)46(54)49(45(34)53)36-23-24-37(50)42-31(36)14-11-25-47-42/h11,14-26,50H,3-10,12-13H2,1-2H3.
What are the key properties of 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 715.85 g/mol, XLogP of 10.70, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-hydroxyquinolin-5-yl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 56630062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).