2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

C26H22N6O — CID 135608233

IUPAC2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C26H22N6O/c1-4-19-16(3)20(13-27)24-29-22-7-5-6-8-23(22)32(24)25(19)31-28-14-18-12-17-11-15(2)9-10-21(17)30-26(18)33/h5-12,14,31H,4H2,1-3H3,(H,30,33)/b28-14+
InChIKeyCZJCOVRUHFWGSY-CCVNUDIWSA-N
MW434.50 g/mol
LogP4.83
Rot. Bonds4

About 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 135608233) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID135608233
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C26H22N6O/c1-4-19-16(3)20(13-27)24-29-22-7-5-6-8-23(22)32(24)25(19)31-28-14-18-12-17-11-15(2)9-10-21(17)30-26(18)33/h5-12,14,31H,4H2,1-3H3,(H,30,33)/b28-14+
InChIKeyCZJCOVRUHFWGSY-CCVNUDIWSA-N
XLogP4.83
TPSA98.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-methyl-1-[2-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3615756
2-ethyl-3-methyl-1-[(2Z)-2-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 136800882
1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6220082
2-ethyl-3-methyl-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6220193
1-[(2Z)-2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6220094
2-ethyl-3-methyl-1-[[(1S)-1-phenylethyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1034944
2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium
CID 6956900
1-[2-(diethylamino)ethylamino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 948175
2-[(2-hydroxy-5-methylanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1082020
2-ethyl-1-[4-(2-hydroxyethylsulfonyl)anilino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5059052
4-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 171979805
2-(2-cyanoethyl)-3-methyl-1-(4-methylanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5121090

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 135608233) is 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is CZJCOVRUHFWGSY-CCVNUDIWSA-N. The full InChI is InChI=1S/C26H22N6O/c1-4-19-16(3)20(13-27)24-29-22-7-5-6-8-23(22)32(24)25(19)31-28-14-18-12-17-11-15(2)9-10-21(17)30-26(18)33/h5-12,14,31H,4H2,1-3H3,(H,30,33)/b28-14+.
What are the key properties of 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 434.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-[(2E)-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 135608233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).