(10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one

C18H20N2O4 — CID 101396259

IUPAC(10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one
SMILESO=C1NCCC/C=C\CNCc2ccoc2-c2cc(O)cc(O)c21
InChIInChI=1S/C18H20N2O4/c21-13-9-14-16(15(22)10-13)18(23)20-7-4-2-1-3-6-19-11-12-5-8-24-17(12)14/h1,3,5,8-10,19,21-22H,2,4,6-7,11H2,(H,20,23)/b3-1-
InChIKeyCKAHMVOSCCKMDJ-IWQZZHSRSA-N
MW328.37 g/mol
LogP2.53
Rot. Bonds

About (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one

(10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one (PubChem CID 101396259) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one.

Molecular Properties

Compound Name(10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one
PubChem CID101396259
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one
SMILESO=C1NCCC/C=C\CNCc2ccoc2-c2cc(O)cc(O)c21
InChIInChI=1S/C18H20N2O4/c21-13-9-14-16(15(22)10-13)18(23)20-7-4-2-1-3-6-19-11-12-5-8-24-17(12)14/h1,3,5,8-10,19,21-22H,2,4,6-7,11H2,(H,20,23)/b3-1-
InChIKeyCKAHMVOSCCKMDJ-IWQZZHSRSA-N
XLogP2.53
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one?
The IUPAC name of (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one (CID 101396259) is (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one.
What is the SMILES notation for (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one?
The canonical SMILES for (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one is O=C1NCCC/C=C\CNCc2ccoc2-c2cc(O)cc(O)c21.
What is the InChIKey of (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one?
The InChIKey is CKAHMVOSCCKMDJ-IWQZZHSRSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-13-9-14-16(15(22)10-13)18(23)20-7-4-2-1-3-6-19-11-12-5-8-24-17(12)14/h1,3,5,8-10,19,21-22H,2,4,6-7,11H2,(H,20,23)/b3-1-.
What are the key properties of (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one?
(10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one has a molecular weight of 328.37 g/mol, XLogP of 2.53, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-18,20-dihydroxy-3-oxa-8,15-diazatricyclo[15.4.0.02,6]henicosa-1(17),2(6),4,10,18,20-hexaen-16-one is sourced from PubChem (CID 101396259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).