2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C24H22N4O — CID 127046652

IUPAC2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(/C=N/Nc2nc3c(c(-c4ccccc4)c2C#N)CCCC3)cc1
InChIInChI=1S/C24H22N4O/c1-29-19-13-11-17(12-14-19)16-26-28-24-21(15-25)23(18-7-3-2-4-8-18)20-9-5-6-10-22(20)27-24/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H,27,28)/b26-16+
InChIKeyAURZBIHBRMLGIC-WGOQTCKBSA-N
MW382.47 g/mol
LogP4.95
Rot. Bonds5

About 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 127046652) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID127046652
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(/C=N/Nc2nc3c(c(-c4ccccc4)c2C#N)CCCC3)cc1
InChIInChI=1S/C24H22N4O/c1-29-19-13-11-17(12-14-19)16-26-28-24-21(15-25)23(18-7-3-2-4-8-18)20-9-5-6-10-22(20)27-24/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H,27,28)/b26-16+
InChIKeyAURZBIHBRMLGIC-WGOQTCKBSA-N
XLogP4.95
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile 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

N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933964
2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 16723952
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933567
2-[(4-methylpiperazin-1-yl)methylideneamino]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7023168
4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 142908581
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
2-(benzylamino)-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 139087167
4-(4-methoxyphenyl)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile
CID 10668060
4-(2-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933566

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 127046652) is 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(/C=N/Nc2nc3c(c(-c4ccccc4)c2C#N)CCCC3)cc1.
What is the InChIKey of 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is AURZBIHBRMLGIC-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H22N4O/c1-29-19-13-11-17(12-14-19)16-26-28-24-21(15-25)23(18-7-3-2-4-8-18)20-9-5-6-10-22(20)27-24/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H,27,28)/b26-16+.
What are the key properties of 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 127046652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).