10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride

C22H21ClN2 — CID 22397013

IUPAC10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
SMILESCl.c1ccc2cc(-c3cccc4[nH]c5c(c34)CCNCC5)ccc2c1
InChIInChI=1S/C22H20N2.ClH/c1-2-5-16-14-17(9-8-15(16)4-1)18-6-3-7-21-22(18)19-10-12-23-13-11-20(19)24-21;/h1-9,14,23-24H,10-13H2;1H
InChIKeyQLJYKOMEXQSSDT-UHFFFAOYSA-N
MW348.88 g/mol
LogP5.10
Rot. Bonds1

About 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride

10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride (PubChem CID 22397013) has the molecular formula C22H21ClN2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride.

Molecular Properties

Compound Name10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
PubChem CID22397013
Molecular FormulaC22H21ClN2
Molecular Weight348.88 g/mol
Exact Mass348.14
IUPAC Name10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
SMILESCl.c1ccc2cc(-c3cccc4[nH]c5c(c34)CCNCC5)ccc2c1
InChIInChI=1S/C22H20N2.ClH/c1-2-5-16-14-17(9-8-15(16)4-1)18-6-3-7-21-22(18)19-10-12-23-13-11-20(19)24-21;/h1-9,14,23-24H,10-13H2;1H
InChIKeyQLJYKOMEXQSSDT-UHFFFAOYSA-N
XLogP5.10
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.88
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride with MolForge

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Related Compounds

10-(2-fluorophenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22396699
10-(4-propoxynaphthalen-2-yl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 91478492
5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 142130689
10-bromo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 142130624
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177356
9-naphthalen-2-yl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 143966574
10-(3-naphthalen-1-yloxypropyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 21129405
1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043
10-[3-(1,3-benzodioxol-5-yloxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22396657
2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
CID 67159688
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride?
The IUPAC name of 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride (CID 22397013) is 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride.
What is the SMILES notation for 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride?
The canonical SMILES for 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride is Cl.c1ccc2cc(-c3cccc4[nH]c5c(c34)CCNCC5)ccc2c1.
What is the InChIKey of 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride?
The InChIKey is QLJYKOMEXQSSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2.ClH/c1-2-5-16-14-17(9-8-15(16)4-1)18-6-3-7-21-22(18)19-10-12-23-13-11-20(19)24-21;/h1-9,14,23-24H,10-13H2;1H.
What are the key properties of 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride?
10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 5.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride is sourced from PubChem (CID 22397013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).