(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene

C17H19ClN2 — CID 67824844

IUPAC(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene
SMILESClc1ccc2c(c1)c1c3n2CC[C@H]2CCCN(CC1)[C@@H]32
InChIInChI=1S/C17H19ClN2/c18-12-3-4-15-14(10-12)13-6-8-19-7-1-2-11-5-9-20(15)17(13)16(11)19/h3-4,10-11,16H,1-2,5-9H2/t11-,16-/m1/s1
InChIKeyLGCCJBXFBYXLQD-BDJLRTHQSA-N
MW286.81 g/mol
LogP4.01
Rot. Bonds

About (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene

(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene (PubChem CID 67824844) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene.

Molecular Properties

Compound Name(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene
PubChem CID67824844
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene
SMILESClc1ccc2c(c1)c1c3n2CC[C@H]2CCCN(CC1)[C@@H]32
InChIInChI=1S/C17H19ClN2/c18-12-3-4-15-14(10-12)13-6-8-19-7-1-2-11-5-9-20(15)17(13)16(11)19/h3-4,10-11,16H,1-2,5-9H2/t11-,16-/m1/s1
InChIKeyLGCCJBXFBYXLQD-BDJLRTHQSA-N
XLogP4.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene?
The IUPAC name of (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene (CID 67824844) is (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene.
What is the SMILES notation for (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene?
The canonical SMILES for (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene is Clc1ccc2c(c1)c1c3n2CC[C@H]2CCCN(CC1)[C@@H]32.
What is the InChIKey of (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene?
The InChIKey is LGCCJBXFBYXLQD-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-12-3-4-15-14(10-12)13-6-8-19-7-1-2-11-5-9-20(15)17(13)16(11)19/h3-4,10-11,16H,1-2,5-9H2/t11-,16-/m1/s1.
What are the key properties of (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene?
(15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene has a molecular weight of 286.81 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19R)-5-chloro-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene is sourced from PubChem (CID 67824844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).