5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

C23H25N3O — CID 66964582

IUPAC5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCOc1ccc(C2CCN(C)Cc3cc(-c4ccc(C)nn4)ccc32)cc1
InChIInChI=1S/C23H25N3O/c1-16-4-11-23(25-24-16)18-7-10-21-19(14-18)15-26(2)13-12-22(21)17-5-8-20(27-3)9-6-17/h4-11,14,22H,12-13,15H2,1-3H3
InChIKeyZZKQYUGPBRHJGH-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.43
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 66964582) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID66964582
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCOc1ccc(C2CCN(C)Cc3cc(-c4ccc(C)nn4)ccc32)cc1
InChIInChI=1S/C23H25N3O/c1-16-4-11-23(25-24-16)18-7-10-21-19(14-18)15-26(2)13-12-22(21)17-5-8-20(27-3)9-6-17/h4-11,14,22H,12-13,15H2,1-3H3
InChIKeyZZKQYUGPBRHJGH-UHFFFAOYSA-N
XLogP4.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 66964582) is 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is COc1ccc(C2CCN(C)Cc3cc(-c4ccc(C)nn4)ccc32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is ZZKQYUGPBRHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-4-11-23(25-24-16)18-7-10-21-19(14-18)15-26(2)13-12-22(21)17-5-8-20(27-3)9-6-17/h4-11,14,22H,12-13,15H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?
5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 359.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 66964582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).