2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide

C19H17N3O — CID 771316

IUPAC2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-13-12-17(16-10-6-7-11-18(16)20-13)19(23)22-21-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,22,23)
InChIKeyRPIWOHCOUJHOJZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide

2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide (PubChem CID 771316) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
PubChem CID771316
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-13-12-17(16-10-6-7-11-18(16)20-13)19(23)22-21-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,22,23)
InChIKeyRPIWOHCOUJHOJZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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'}

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Related Compounds

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
CID 6142695
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide
CID 6273255
N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
CID 6534705
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide (CID 771316) is 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide is CC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide?
The InChIKey is RPIWOHCOUJHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-12-17(16-10-6-7-11-18(16)20-13)19(23)22-21-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide?
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 771316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).