14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene

C24H22ClN — CID 162664677

IUPAC14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
SMILESClc1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1
InChIInChI=1S/C24H22ClN/c25-18-10-7-15(8-11-18)24-22-17-6-5-16(13-17)21(22)23-19-4-2-1-3-14(19)9-12-20(23)26-24/h1-4,7-12,16-17,21-22,24,26H,5-6,13H2
InChIKeyWNHWHMBSPFMPPM-UHFFFAOYSA-N
MW359.90 g/mol
LogP6.79
Rot. Bonds1

About 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene

14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene (PubChem CID 162664677) has the molecular formula C24H22ClN and a molecular weight of 359.90 g/mol. Its IUPAC name is 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene.

Molecular Properties

Compound Name14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
PubChem CID162664677
Molecular FormulaC24H22ClN
Molecular Weight359.90 g/mol
Exact Mass359.14
IUPAC Name14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
SMILESClc1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1
InChIInChI=1S/C24H22ClN/c25-18-10-7-15(8-11-18)24-22-17-6-5-16(13-17)21(22)23-19-4-2-1-3-14(19)9-12-20(23)26-24/h1-4,7-12,16-17,21-22,24,26H,5-6,13H2
InChIKeyWNHWHMBSPFMPPM-UHFFFAOYSA-N
XLogP6.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R,2S,11R,12S)-5-chloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene
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Frequently Asked Questions

What is the IUPAC name of 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
The IUPAC name of 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene (CID 162664677) is 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene.
What is the SMILES notation for 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
The canonical SMILES for 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene is Clc1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1.
What is the InChIKey of 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
The InChIKey is WNHWHMBSPFMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN/c25-18-10-7-15(8-11-18)24-22-17-6-5-16(13-17)21(22)23-19-4-2-1-3-14(19)9-12-20(23)26-24/h1-4,7-12,16-17,21-22,24,26H,5-6,13H2.
What are the key properties of 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene has a molecular weight of 359.90 g/mol, XLogP of 6.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene is sourced from PubChem (CID 162664677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).