7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole

C14H18ClN3 — CID 82501403

IUPAC7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
SMILESClc1cccc2c(CN3CCCNCC3)c[nH]c12
InChIInChI=1S/C14H18ClN3/c15-13-4-1-3-12-11(9-17-14(12)13)10-18-7-2-5-16-6-8-18/h1,3-4,9,16-17H,2,5-8,10H2
InChIKeyZCXUOTKEDBQULG-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.62
Rot. Bonds2

About 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole

7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole (PubChem CID 82501403) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
PubChem CID82501403
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
SMILESClc1cccc2c(CN3CCCNCC3)c[nH]c12
InChIInChI=1S/C14H18ClN3/c15-13-4-1-3-12-11(9-17-14(12)13)10-18-7-2-5-16-6-8-18/h1,3-4,9,16-17H,2,5-8,10H2
InChIKeyZCXUOTKEDBQULG-UHFFFAOYSA-N
XLogP2.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
CID 117181792
[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
CID 174835848
5-[[4-(1,5,8,13-tetrazabicyclo[11.2.2]heptadecan-5-ylmethyl)phenyl]methyl]-1,5,8,13-tetrazabicyclo[11.2.2]heptadecane
CID 158835050
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
7-(1,4-diazepan-1-ylmethyl)-5H-[1,3]dioxolo[4,5-f]indole
CID 96679886

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole?
The IUPAC name of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole (CID 82501403) is 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole.
What is the SMILES notation for 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole?
The canonical SMILES for 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole is Clc1cccc2c(CN3CCCNCC3)c[nH]c12.
What is the InChIKey of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole?
The InChIKey is ZCXUOTKEDBQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-13-4-1-3-12-11(9-17-14(12)13)10-18-7-2-5-16-6-8-18/h1,3-4,9,16-17H,2,5-8,10H2.
What are the key properties of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole?
7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole has a molecular weight of 263.77 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole is sourced from PubChem (CID 82501403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).