2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide

C19H17N3O — CID 3731183

IUPAC2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
SMILESCC(C)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H17N3O/c1-13(2)21-22-19(23)16-12-18(14-8-4-3-5-9-14)20-17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,22,23)
InChIKeyQBPRFHYUADEPHW-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.03
Rot. Bonds3

About 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide

2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide (PubChem CID 3731183) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
PubChem CID3731183
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
SMILESCC(C)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H17N3O/c1-13(2)21-22-19(23)16-12-18(14-8-4-3-5-9-14)20-17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,22,23)
InChIKeyQBPRFHYUADEPHW-UHFFFAOYSA-N
XLogP4.03
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide 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

2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
CID 7417343
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078554
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884131
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6063803

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide (CID 3731183) is 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide is CC(C)=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide?
The InChIKey is QBPRFHYUADEPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13(2)21-22-19(23)16-12-18(14-8-4-3-5-9-14)20-17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide?
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 3731183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).