14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene

C18H12N2O — CID 25062577

IUPAC14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene
SMILESc1ccc2nc3c(cc4c5c(cccc53)CCO4)nc2c1
InChIInChI=1S/C18H12N2O/c1-2-7-14-13(6-1)19-15-10-16-17-11(8-9-21-16)4-3-5-12(17)18(15)20-14/h1-7,10H,8-9H2
InChIKeyGYEBIAMPHKIJOQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.87
Rot. Bonds

About 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene

14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene (PubChem CID 25062577) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene.

Molecular Properties

Compound Name14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene
PubChem CID25062577
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene
SMILESc1ccc2nc3c(cc4c5c(cccc53)CCO4)nc2c1
InChIInChI=1S/C18H12N2O/c1-2-7-14-13(6-1)19-15-10-16-17-11(8-9-21-16)4-3-5-12(17)18(15)20-14/h1-7,10H,8-9H2
InChIKeyGYEBIAMPHKIJOQ-UHFFFAOYSA-N
XLogP3.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene 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 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene?
The IUPAC name of 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene (CID 25062577) is 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene.
What is the SMILES notation for 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene?
The canonical SMILES for 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene is c1ccc2nc3c(cc4c5c(cccc53)CCO4)nc2c1.
What is the InChIKey of 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene?
The InChIKey is GYEBIAMPHKIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-2-7-14-13(6-1)19-15-10-16-17-11(8-9-21-16)4-3-5-12(17)18(15)20-14/h1-7,10H,8-9H2.
What are the key properties of 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene?
14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene has a molecular weight of 272.31 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,12,17(21),18-nonaene is sourced from PubChem (CID 25062577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).