21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C20H13N — CID 154629324

IUPAC21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESc1ccc2nc3c(cc2c1)Cc1ccc2ccccc2c1-3
InChIInChI=1S/C20H13N/c1-3-7-17-13(5-1)9-10-15-12-16-11-14-6-2-4-8-18(14)21-20(16)19(15)17/h1-11H,12H2
InChIKeyPXINJYVTLBVWCM-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.96
Rot. Bonds

About 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 154629324) has the molecular formula C20H13N and a molecular weight of 267.33 g/mol. Its IUPAC name is 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

Compound Name21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
PubChem CID154629324
Molecular FormulaC20H13N
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESc1ccc2nc3c(cc2c1)Cc1ccc2ccccc2c1-3
InChIInChI=1S/C20H13N/c1-3-7-17-13(5-1)9-10-15-12-16-11-14-6-2-4-8-18(14)21-20(16)19(15)17/h1-11H,12H2
InChIKeyPXINJYVTLBVWCM-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The IUPAC name of 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 154629324) is 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
What is the SMILES notation for 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The canonical SMILES for 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc2nc3c(cc2c1)Cc1ccc2ccccc2c1-3.
What is the InChIKey of 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The InChIKey is PXINJYVTLBVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N/c1-3-7-17-13(5-1)9-10-15-12-16-11-14-6-2-4-8-18(14)21-20(16)19(15)17/h1-11H,12H2.
What are the key properties of 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 267.33 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 154629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).