18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

C17H10ClN3 — CID 14783701

IUPAC18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESClc1cccc2c1[nH]c1c2ncc2[nH]c3ccccc3c21
InChIInChI=1S/C17H10ClN3/c18-11-6-3-5-10-15(11)21-17-14-9-4-1-2-7-12(9)20-13(14)8-19-16(10)17/h1-8,20-21H
InChIKeyPYVLHTIVPSXBGP-UHFFFAOYSA-N
MW291.74 g/mol
LogP5.00
Rot. Bonds

About 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (PubChem CID 14783701) has the molecular formula C17H10ClN3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
PubChem CID14783701
Molecular FormulaC17H10ClN3
Molecular Weight291.74 g/mol
Exact Mass291.06
IUPAC Name18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
SMILESClc1cccc2c1[nH]c1c2ncc2[nH]c3ccccc3c21
InChIInChI=1S/C17H10ClN3/c18-11-6-3-5-10-15(11)21-17-14-9-4-1-2-7-12(9)20-13(14)8-19-16(10)17/h1-8,20-21H
InChIKeyPYVLHTIVPSXBGP-UHFFFAOYSA-N
XLogP5.00
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.74
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Beta-Carboline
CID 64961
Harman
CID 5281404
3-Methyl-9h-pyrido[3,4-b]indole
CID 13315103
9H-Pyrido(3,4-b)indole, 1-methyl-, hydrochloride (1:1)
CID 5487918
Eudistomin U
CID 10334023
Nostocarboline hydroiodide
CID 11515734
7-chloro-1H-indole
CID 104644
3-chloro-9H-pyrido[3,4-b]indole
CID 6198020
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
CID 2729517
3,3'-(2-pyridinylmethylene)bis-1H-indole
CID 2907031

Frequently Asked Questions

What is the IUPAC name of 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The IUPAC name of 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene (CID 14783701) is 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene.
What is the SMILES notation for 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The canonical SMILES for 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is Clc1cccc2c1[nH]c1c2ncc2[nH]c3ccccc3c21.
What is the InChIKey of 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
The InChIKey is PYVLHTIVPSXBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3/c18-11-6-3-5-10-15(11)21-17-14-9-4-1-2-7-12(9)20-13(14)8-19-16(10)17/h1-8,20-21H.
What are the key properties of 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene?
18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene has a molecular weight of 291.74 g/mol, XLogP of 5.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene is sourced from PubChem (CID 14783701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).