N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide

C25H20N4O — CID 55353125

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccccc1
InChIInChI=1S/C25H20N4O/c1-18(15-19-7-3-2-4-8-19)17-27-29-25(30)22-16-24(20-11-13-26-14-12-20)28-23-10-6-5-9-21(22)23/h2-17H,1H3,(H,29,30)/b18-15+,27-17+
InChIKeyHXFWNHBNWXKKRE-KOKSQLQZSA-N
MW392.46 g/mol
LogP5.12
Rot. Bonds5

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 55353125) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID55353125
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccccc1
InChIInChI=1S/C25H20N4O/c1-18(15-19-7-3-2-4-8-19)17-27-29-25(30)22-16-24(20-11-13-26-14-12-20)28-23-10-6-5-9-21(22)23/h2-17H,1H3,(H,29,30)/b18-15+,27-17+
InChIKeyHXFWNHBNWXKKRE-KOKSQLQZSA-N
XLogP5.12
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide
CID 1226407
2-pyridin-1-ium-4-yl-N-(pyridin-4-ylmethylideneamino)quinoline-4-carboxamide
CID 135505088
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 3485372
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 55353125) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide is CC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is HXFWNHBNWXKKRE-KOKSQLQZSA-N. The full InChI is InChI=1S/C25H20N4O/c1-18(15-19-7-3-2-4-8-19)17-27-29-25(30)22-16-24(20-11-13-26-14-12-20)28-23-10-6-5-9-21(22)23/h2-17H,1H3,(H,29,30)/b18-15+,27-17+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 55353125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).