N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide

C20H19N3O2 — CID 3318131

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2/c1-3-25-16-10-8-15(9-11-16)13-21-23-20(24)18-12-14(2)22-19-7-5-4-6-17(18)19/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyCMMWSAJVHDUDEH-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.71
Rot. Bonds5

About N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide

N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 3318131) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID3318131
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2/c1-3-25-16-10-8-15(9-11-16)13-21-23-20(24)18-12-14(2)22-19-7-5-4-6-17(18)19/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyCMMWSAJVHDUDEH-UHFFFAOYSA-N
XLogP3.71
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.71
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)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 43012024
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524775
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide (CID 3318131) is N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide is CCOc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is CMMWSAJVHDUDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-25-16-10-8-15(9-11-16)13-21-23-20(24)18-12-14(2)22-19-7-5-4-6-17(18)19/h4-13H,3H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide?
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 3318131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).