12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

C18H11Cl2N — CID 14941481

IUPAC12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESClc1cccc2c1Nc1c(Cl)cccc1-c1ccccc1-2
InChIInChI=1S/C18H11Cl2N/c19-15-9-3-7-13-11-5-1-2-6-12(11)14-8-4-10-16(20)18(14)21-17(13)15/h1-10,21H
InChIKeyTVOFZRIIPSTAHC-UHFFFAOYSA-N
MW312.20 g/mol
LogP6.38
Rot. Bonds

About 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 14941481) has the molecular formula C18H11Cl2N and a molecular weight of 312.20 g/mol. Its IUPAC name is 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID14941481
Molecular FormulaC18H11Cl2N
Molecular Weight312.20 g/mol
Exact Mass311.03
IUPAC Name12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESClc1cccc2c1Nc1c(Cl)cccc1-c1ccccc1-2
InChIInChI=1S/C18H11Cl2N/c19-15-9-3-7-13-11-5-1-2-6-12(11)14-8-4-10-16(20)18(14)21-17(13)15/h1-10,21H
InChIKeyTVOFZRIIPSTAHC-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.20
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 14941481) is 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is Clc1cccc2c1Nc1c(Cl)cccc1-c1ccccc1-2.
What is the InChIKey of 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is TVOFZRIIPSTAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N/c19-15-9-3-7-13-11-5-1-2-6-12(11)14-8-4-10-16(20)18(14)21-17(13)15/h1-10,21H.
What are the key properties of 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 312.20 g/mol, XLogP of 6.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,16-dichloro-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 14941481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).