16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene

C17H17ClN2 — CID 138969877

IUPAC16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene
SMILESClc1ccc2c(c1)[nH]c1cc3c(nc12)CCCCCC3
InChIInChI=1S/C17H17ClN2/c18-12-7-8-13-15(10-12)19-16-9-11-5-3-1-2-4-6-14(11)20-17(13)16/h7-10,19H,1-6H2
InChIKeyKMNZYQIOGUDQMV-UHFFFAOYSA-N
MW284.79 g/mol
LogP5.03
Rot. Bonds

About 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene

16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene (PubChem CID 138969877) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene.

Molecular Properties

Compound Name16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene
PubChem CID138969877
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene
SMILESClc1ccc2c(c1)[nH]c1cc3c(nc12)CCCCCC3
InChIInChI=1S/C17H17ClN2/c18-12-7-8-13-15(10-12)19-16-9-11-5-3-1-2-4-6-14(11)20-17(13)16/h7-10,19H,1-6H2
InChIKeyKMNZYQIOGUDQMV-UHFFFAOYSA-N
XLogP5.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
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8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
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7-chloro-9H-pyrido[3,4-b]indole
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11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylic acid
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9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
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Frequently Asked Questions

What is the IUPAC name of 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene?
The IUPAC name of 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene (CID 138969877) is 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene.
What is the SMILES notation for 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene?
The canonical SMILES for 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene is Clc1ccc2c(c1)[nH]c1cc3c(nc12)CCCCCC3.
What is the InChIKey of 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene?
The InChIKey is KMNZYQIOGUDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-12-7-8-13-15(10-12)19-16-9-11-5-3-1-2-4-6-14(11)20-17(13)16/h7-10,19H,1-6H2.
What are the key properties of 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene?
16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene has a molecular weight of 284.79 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-11,19-diazatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,10,13(18),14,16-hexaene is sourced from PubChem (CID 138969877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).