5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C24H19N3 — CID 66963933

IUPAC5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESC1=C(c2ccc3ccccc3c2)c2ccc(-c3cccnn3)cc2CNC1
InChIInChI=1S/C24H19N3/c1-2-5-18-14-19(8-7-17(18)4-1)23-11-13-25-16-21-15-20(9-10-22(21)23)24-6-3-12-26-27-24/h1-12,14-15,25H,13,16H2
InChIKeyBJOXZCIFFXYNAE-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.83
Rot. Bonds2

About 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66963933) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66963933
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESC1=C(c2ccc3ccccc3c2)c2ccc(-c3cccnn3)cc2CNC1
InChIInChI=1S/C24H19N3/c1-2-5-18-14-19(8-7-17(18)4-1)23-11-13-25-16-21-15-20(9-10-22(21)23)24-6-3-12-26-27-24/h1-12,14-15,25H,13,16H2
InChIKeyBJOXZCIFFXYNAE-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66965081
5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963844
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964598
9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66963822
5-pyridazin-3-yl-2,3-dihydro-1H-indole
CID 160964967
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
CID 10125506
boric acid;2-naphthalen-2-ylpyridine
CID 175005821
3-[5-(1,2-dihydropyridazin-3-yl)-1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-8-yl]pyridazine
CID 160896874
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66963933) is 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is C1=C(c2ccc3ccccc3c2)c2ccc(-c3cccnn3)cc2CNC1.
What is the InChIKey of 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is BJOXZCIFFXYNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-2-5-18-14-19(8-7-17(18)4-1)23-11-13-25-16-21-15-20(9-10-22(21)23)24-6-3-12-26-27-24/h1-12,14-15,25H,13,16H2.
What are the key properties of 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 349.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66963933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).