3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one

C19H12N2O — CID 24813913

IUPAC3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
SMILESO=c1c2ccccc2cc2n1Cc1cc3ccccc3nc1-2
InChIInChI=1S/C19H12N2O/c22-19-15-7-3-1-5-12(15)10-17-18-14(11-21(17)19)9-13-6-2-4-8-16(13)20-18/h1-10H,11H2
InChIKeyJORFMKUBMHCFKA-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.58
Rot. Bonds

About 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one

3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one (PubChem CID 24813913) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one.

Molecular Properties

Compound Name3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
PubChem CID24813913
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
SMILESO=c1c2ccccc2cc2n1Cc1cc3ccccc3nc1-2
InChIInChI=1S/C19H12N2O/c22-19-15-7-3-1-5-12(15)10-17-18-14(11-21(17)19)9-13-6-2-4-8-16(13)20-18/h1-10H,11H2
InChIKeyJORFMKUBMHCFKA-UHFFFAOYSA-N
XLogP3.58
TPSA34.89 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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
The IUPAC name of 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one (CID 24813913) is 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one.
What is the SMILES notation for 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
The canonical SMILES for 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one is O=c1c2ccccc2cc2n1Cc1cc3ccccc3nc1-2.
What is the InChIKey of 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
The InChIKey is JORFMKUBMHCFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c22-19-15-7-3-1-5-12(15)10-17-18-14(11-21(17)19)9-13-6-2-4-8-16(13)20-18/h1-10H,11H2.
What are the key properties of 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one?
3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one has a molecular weight of 284.32 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one is sourced from PubChem (CID 24813913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).