15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene

C19H12ClN — CID 90482063

IUPAC15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESClC1=c2ccccc2=c2ccccc2=c2ccccc2=N1
InChIInChI=1S/C19H12ClN/c20-19-17-11-4-3-9-15(17)13-7-1-2-8-14(13)16-10-5-6-12-18(16)21-19/h1-12H
InChIKeyDMYCHCCFEKNPEV-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.20
Rot. Bonds

About 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene

15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 90482063) has the molecular formula C19H12ClN and a molecular weight of 289.77 g/mol. Its IUPAC name is 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID90482063
Molecular FormulaC19H12ClN
Molecular Weight289.77 g/mol
Exact Mass289.07
IUPAC Name15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESClC1=c2ccccc2=c2ccccc2=c2ccccc2=N1
InChIInChI=1S/C19H12ClN/c20-19-17-11-4-3-9-15(17)13-7-1-2-8-14(13)16-10-5-6-12-18(16)21-19/h1-12H
InChIKeyDMYCHCCFEKNPEV-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 90482063) is 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene is ClC1=c2ccccc2=c2ccccc2=c2ccccc2=N1.
What is the InChIKey of 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is DMYCHCCFEKNPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN/c20-19-17-11-4-3-9-15(17)13-7-1-2-8-14(13)16-10-5-6-12-18(16)21-19/h1-12H.
What are the key properties of 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 289.77 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 90482063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).