2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide

C23H23N3O — CID 1226462

IUPAC2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2cc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O/c1-3-16-8-10-17(11-9-16)15(2)25-26-23(27)20-14-22(18-12-13-18)24-21-7-5-4-6-19(20)21/h4-11,14,18H,3,12-13H2,1-2H3,(H,26,27)
InChIKeyMFPVDZJIMVXAMU-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.83
Rot. Bonds5

About 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 1226462) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
PubChem CID1226462
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2cc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H23N3O/c1-3-16-8-10-17(11-9-16)15(2)25-26-23(27)20-14-22(18-12-13-18)24-21-7-5-4-6-19(20)21/h4-11,14,18H,3,12-13H2,1-2H3,(H,26,27)
InChIKeyMFPVDZJIMVXAMU-UHFFFAOYSA-N
XLogP4.83
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.83
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

6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6040283
6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 4671456
2-cyclopropyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 5412205
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 3317994
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide (CID 1226462) is 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide is CCc1ccc(C(C)=NNC(=O)c2cc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is MFPVDZJIMVXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-3-16-8-10-17(11-9-16)15(2)25-26-23(27)20-14-22(18-12-13-18)24-21-7-5-4-6-19(20)21/h4-11,14,18H,3,12-13H2,1-2H3,(H,26,27).
What are the key properties of 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 1226462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).