10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene

C19H12N2O — CID 132849949

IUPAC10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene
SMILESc1ccc2c(c1)OCc1cc3c(cnc4ccccc43)nc1-2
InChIInChI=1S/C19H12N2O/c1-3-7-16-13(5-1)15-9-12-11-22-18-8-4-2-6-14(18)19(12)21-17(15)10-20-16/h1-10H,11H2
InChIKeyFMDVYTLTJOOVSF-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.34
Rot. Bonds

About 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene

10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene (PubChem CID 132849949) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene.

Molecular Properties

Compound Name10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene
PubChem CID132849949
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene
SMILESc1ccc2c(c1)OCc1cc3c(cnc4ccccc43)nc1-2
InChIInChI=1S/C19H12N2O/c1-3-7-16-13(5-1)15-9-12-11-22-18-8-4-2-6-14(18)19(12)21-17(15)10-20-16/h1-10H,11H2
InChIKeyFMDVYTLTJOOVSF-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene?
The IUPAC name of 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene (CID 132849949) is 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene.
What is the SMILES notation for 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene?
The canonical SMILES for 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene is c1ccc2c(c1)OCc1cc3c(cnc4ccccc43)nc1-2.
What is the InChIKey of 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene?
The InChIKey is FMDVYTLTJOOVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c1-3-7-16-13(5-1)15-9-12-11-22-18-8-4-2-6-14(18)19(12)21-17(15)10-20-16/h1-10H,11H2.
What are the key properties of 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene?
10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene has a molecular weight of 284.32 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-2,21-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,12,15,17,19,21-decaene is sourced from PubChem (CID 132849949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).