16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene

C19H11ClN2 — CID 10380220

IUPAC16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
SMILESClc1ccc2nc3c4c(cccc4c2c1)Nc1ccccc1-3
InChIInChI=1S/C19H11ClN2/c20-11-8-9-16-14(10-11)12-5-3-7-17-18(12)19(22-16)13-4-1-2-6-15(13)21-17/h1-10,21H
InChIKeyNBLTYXPRXWCUNM-UHFFFAOYSA-N
MW302.76 g/mol
LogP5.77
Rot. Bonds

About 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene

16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene (PubChem CID 10380220) has the molecular formula C19H11ClN2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
PubChem CID10380220
Molecular FormulaC19H11ClN2
Molecular Weight302.76 g/mol
Exact Mass302.06
IUPAC Name16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene
SMILESClc1ccc2nc3c4c(cccc4c2c1)Nc1ccccc1-3
InChIInChI=1S/C19H11ClN2/c20-11-8-9-16-14(10-11)12-5-3-7-17-18(12)19(22-16)13-4-1-2-6-15(13)21-17/h1-10,21H
InChIKeyNBLTYXPRXWCUNM-UHFFFAOYSA-N
XLogP5.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.76
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
The IUPAC name of 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene (CID 10380220) is 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene.
What is the SMILES notation for 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
The canonical SMILES for 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene is Clc1ccc2nc3c4c(cccc4c2c1)Nc1ccccc1-3.
What is the InChIKey of 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
The InChIKey is NBLTYXPRXWCUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2/c20-11-8-9-16-14(10-11)12-5-3-7-17-18(12)19(22-16)13-4-1-2-6-15(13)21-17/h1-10,21H.
What are the key properties of 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene?
16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene has a molecular weight of 302.76 g/mol, XLogP of 5.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,17,19-decaene is sourced from PubChem (CID 10380220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).