17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione

C22H8N2O6 — CID 155248671

IUPAC17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione
SMILESO=C1OC(=O)c2cnc3c4ccc5c6c(cnc(c7ccc1c2c73)c64)C(=O)OC5O
InChIInChI=1S/C22H8N2O6/c25-19-9-3-1-7-15-13(9)11(21(27)29-19)6-24-18(15)8-2-4-10-14-12(22(28)30-20(10)26)5-23-17(7)16(8)14/h1-6,19,25H
InChIKeyKCINUXVSNFWLFY-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.00
Rot. Bonds

About 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione

17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione (PubChem CID 155248671) has the molecular formula C22H8N2O6 and a molecular weight of 396.31 g/mol. Its IUPAC name is 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione.

Molecular Properties

Compound Name17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione
PubChem CID155248671
Molecular FormulaC22H8N2O6
Molecular Weight396.31 g/mol
Exact Mass396.04
IUPAC Name17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione
SMILESO=C1OC(=O)c2cnc3c4ccc5c6c(cnc(c7ccc1c2c73)c64)C(=O)OC5O
InChIInChI=1S/C22H8N2O6/c25-19-9-3-1-7-15-13(9)11(21(27)29-19)6-24-18(15)8-2-4-10-14-12(22(28)30-20(10)26)5-23-17(7)16(8)14/h1-6,19,25H
InChIKeyKCINUXVSNFWLFY-UHFFFAOYSA-N
XLogP3.00
TPSA115.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione 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 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione?
The IUPAC name of 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione (CID 155248671) is 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione.
What is the SMILES notation for 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione?
The canonical SMILES for 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione is O=C1OC(=O)c2cnc3c4ccc5c6c(cnc(c7ccc1c2c73)c64)C(=O)OC5O.
What is the InChIKey of 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione?
The InChIKey is KCINUXVSNFWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8N2O6/c25-19-9-3-1-7-15-13(9)11(21(27)29-19)6-24-18(15)8-2-4-10-14-12(22(28)30-20(10)26)5-23-17(7)16(8)14/h1-6,19,25H.
What are the key properties of 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione?
17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione has a molecular weight of 396.31 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxy-7,18-dioxa-11,22-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,19-trione is sourced from PubChem (CID 155248671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).