(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine

C23H28ClN5 — CID 166877847

IUPAC(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
SMILESC/C(N)=C1\c2ccc(C3=CCNCC3)cc2C(Nc2cccc(Cl)c2)CCN1N
InChIInChI=1S/C23H28ClN5/c1-15(25)23-20-6-5-17(16-7-10-27-11-8-16)13-21(20)22(9-12-29(23)26)28-19-4-2-3-18(24)14-19/h2-7,13-14,22,27-28H,8-12,25-26H2,1H3/b23-15-
InChIKeyQFCOHDAXPCBCPX-HAHDFKILSA-N
MW409.97 g/mol
LogP4.10
Rot. Bonds3

About (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine

(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine (PubChem CID 166877847) has the molecular formula C23H28ClN5 and a molecular weight of 409.97 g/mol. Its IUPAC name is (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine.

Molecular Properties

Compound Name(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
PubChem CID166877847
Molecular FormulaC23H28ClN5
Molecular Weight409.97 g/mol
Exact Mass409.20
IUPAC Name(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
SMILESC/C(N)=C1\c2ccc(C3=CCNCC3)cc2C(Nc2cccc(Cl)c2)CCN1N
InChIInChI=1S/C23H28ClN5/c1-15(25)23-20-6-5-17(16-7-10-27-11-8-16)13-21(20)22(9-12-29(23)26)28-19-4-2-3-18(24)14-19/h2-7,13-14,22,27-28H,8-12,25-26H2,1H3/b23-15-
InChIKeyQFCOHDAXPCBCPX-HAHDFKILSA-N
XLogP4.10
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.97
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
CID 166878498
(1Z)-1-(1-aminoethylidene)-5-N-(2-fluorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
CID 166878335
(1Z)-1-(1-aminoethylidene)-N-(3-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine
CID 166877681
(1Z)-1-(1-aminoethylidene)-5-N-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine
CID 166878514
CID 163972281
CID 163972281
(1Z)-1-(1-aminoethylidene)-7-bromo-5-N-[3-(dimethylamino)phenyl]-4,5-dihydro-3H-2-benzazepine-2,5-diamine
CID 166877911
N-(3-chlorophenyl)-1-methyl-9-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 155043075
(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine
CID 166877905
3-[[(1Z)-1-(1-aminoethylidene)-7-(2,5-dihydro-1H-pyrrol-3-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-yl]amino]phenol
CID 166878475
(7S)-N-(3-chlorophenyl)-1-methyl-9-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-6,7-dihydro-5H-triazolo[5,1-a][2]benzazepin-7-amine
CID 155042798
4-[[(1Z)-2-amino-1-(1-aminoethylidene)-7-(1-methylpyrazol-4-yl)-4,5-dihydro-3H-2-benzazepin-5-yl]amino]benzamide
CID 166881429
(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine
CID 166878360

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
The IUPAC name of (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine (CID 166877847) is (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine.
What is the SMILES notation for (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
The canonical SMILES for (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine is C/C(N)=C1\c2ccc(C3=CCNCC3)cc2C(Nc2cccc(Cl)c2)CCN1N.
What is the InChIKey of (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
The InChIKey is QFCOHDAXPCBCPX-HAHDFKILSA-N. The full InChI is InChI=1S/C23H28ClN5/c1-15(25)23-20-6-5-17(16-7-10-27-11-8-16)13-21(20)22(9-12-29(23)26)28-19-4-2-3-18(24)14-19/h2-7,13-14,22,27-28H,8-12,25-26H2,1H3/b23-15-.
What are the key properties of (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
(1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine has a molecular weight of 409.97 g/mol, XLogP of 4.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-aminoethylidene)-5-N-(3-chlorophenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydro-3H-2-benzazepine-2,5-diamine is sourced from PubChem (CID 166877847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).