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7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane

C21H24ClN3 — CID 158300393

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane
SMILESC.Clc1ccc2c(c1NCc1ccc3ncccc3c1)CCNCC2
InChIInChI=1S/C20H20ClN3.CH4/c21-18-5-4-15-7-10-22-11-8-17(15)20(18)24-13-14-3-6-19-16(12-14)2-1-9-23-19;/h1-6,9,12,22,24H,7-8,10-11,13H2;1H4
InChIKeyGMKVHZGLLJUCAE-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.82
Rot. Bonds3

About 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane

7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane (PubChem CID 158300393) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane.

Molecular Properties

Compound Name7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane
PubChem CID158300393
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane
SMILESC.Clc1ccc2c(c1NCc1ccc3ncccc3c1)CCNCC2
InChIInChI=1S/C20H20ClN3.CH4/c21-18-5-4-15-7-10-22-11-8-17(15)20(18)24-13-14-3-6-19-16(12-14)2-1-9-23-19;/h1-6,9,12,22,24H,7-8,10-11,13H2;1H4
InChIKeyGMKVHZGLLJUCAE-UHFFFAOYSA-N
XLogP4.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane?
The IUPAC name of 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane (CID 158300393) is 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane.
What is the SMILES notation for 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane?
The canonical SMILES for 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane is C.Clc1ccc2c(c1NCc1ccc3ncccc3c1)CCNCC2.
What is the InChIKey of 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane?
The InChIKey is GMKVHZGLLJUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3.CH4/c21-18-5-4-15-7-10-22-11-8-17(15)20(18)24-13-14-3-6-19-16(12-14)2-1-9-23-19;/h1-6,9,12,22,24H,7-8,10-11,13H2;1H4.
What are the key properties of 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane?
7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane has a molecular weight of 353.90 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane is sourced from PubChem (CID 158300393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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