7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

C23H25ClN2 — CID 69455509

IUPAC7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESCC1CNCCc2ccc(-c3ncccc3Cc3ccccc3)cc21.Cl
InChIInChI=1S/C23H24N2.ClH/c1-17-16-24-13-11-19-9-10-21(15-22(17)19)23-20(8-5-12-25-23)14-18-6-3-2-4-7-18;/h2-10,12,15,17,24H,11,13-14,16H2,1H3;1H
InChIKeyUVDHSVFUNBMAEH-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.01
Rot. Bonds3

About 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (PubChem CID 69455509) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
PubChem CID69455509
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESCC1CNCCc2ccc(-c3ncccc3Cc3ccccc3)cc21.Cl
InChIInChI=1S/C23H24N2.ClH/c1-17-16-24-13-11-19-9-10-21(15-22(17)19)23-20(8-5-12-25-23)14-18-6-3-2-4-7-18;/h2-10,12,15,17,24H,11,13-14,16H2,1H3;1H
InChIKeyUVDHSVFUNBMAEH-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The IUPAC name of 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (CID 69455509) is 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.
What is the SMILES notation for 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The canonical SMILES for 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is CC1CNCCc2ccc(-c3ncccc3Cc3ccccc3)cc21.Cl.
What is the InChIKey of 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The InChIKey is UVDHSVFUNBMAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2.ClH/c1-17-16-24-13-11-19-9-10-21(15-22(17)19)23-20(8-5-12-25-23)14-18-6-3-2-4-7-18;/h2-10,12,15,17,24H,11,13-14,16H2,1H3;1H.
What are the key properties of 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-benzyl-2-pyridinyl)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is sourced from PubChem (CID 69455509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).