15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione

C21H18N2O3 — CID 70676625

IUPAC15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
SMILESO=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1C1CCCCC1
InChIInChI=1S/C21H18N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8H2
InChIKeyBMOMWOOGZDLKOU-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.11
Rot. Bonds1

About 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione

15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione (PubChem CID 70676625) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione.

Molecular Properties

Compound Name15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
PubChem CID70676625
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione
SMILESO=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1C1CCCCC1
InChIInChI=1S/C21H18N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8H2
InChIKeyBMOMWOOGZDLKOU-UHFFFAOYSA-N
XLogP4.11
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
The IUPAC name of 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione (CID 70676625) is 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione.
What is the SMILES notation for 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
The canonical SMILES for 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione is O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1C1CCCCC1.
What is the InChIKey of 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
The InChIKey is BMOMWOOGZDLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8H2.
What are the key properties of 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione?
15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione has a molecular weight of 346.39 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-cyclohexyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione is sourced from PubChem (CID 70676625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).