N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide

C19H17N3O — CID 5404855

IUPACN-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)N/N=C\c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O/c1-2-15-12-17(16-10-6-7-11-18(16)21-15)19(23)22-20-13-14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,22,23)/b20-13-
InChIKeyGDYXARJKVBTASW-MOSHPQCFSA-N
MW303.37 g/mol
LogP3.56
Rot. Bonds4

About N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide

N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide (PubChem CID 5404855) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
PubChem CID5404855
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)N/N=C\c2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O/c1-2-15-12-17(16-10-6-7-11-18(16)21-15)19(23)22-20-13-14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,22,23)/b20-13-
InChIKeyGDYXARJKVBTASW-MOSHPQCFSA-N
XLogP3.56
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.56
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-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
CID 1226483
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 43012024
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide (CID 5404855) is N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide is CCc1cc(C(=O)N/N=C\c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide?
The InChIKey is GDYXARJKVBTASW-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-15-12-17(16-10-6-7-11-18(16)21-15)19(23)22-20-13-14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,22,23)/b20-13-.
What are the key properties of N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide?
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide is sourced from PubChem (CID 5404855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).