2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide

C19H17N3O2 — CID 135580184

IUPAC2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCc1cc(C(=O)N/N=C/c2ccc(O)cc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-2-14-11-17(16-5-3-4-6-18(16)21-14)19(24)22-20-12-13-7-9-15(23)10-8-13/h3-12,23H,2H2,1H3,(H,22,24)/b20-12+
InChIKeyYGUCSGRAPLABAF-UDWIEESQSA-N
MW319.36 g/mol
LogP3.27
Rot. Bonds4

About 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide

2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 135580184) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID135580184
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCc1cc(C(=O)N/N=C/c2ccc(O)cc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-2-14-11-17(16-5-3-4-6-18(16)21-14)19(24)22-20-12-13-7-9-15(23)10-8-13/h3-12,23H,2H2,1H3,(H,22,24)/b20-12+
InChIKeyYGUCSGRAPLABAF-UDWIEESQSA-N
XLogP3.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-((8-Hydroxy-2-quinolinyl)methylene)-3-phenylpropanohydrazide
CID 135479710
2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
2-hydroxy-N-[(E)-quinolin-4-ylmethylideneamino]benzamide
CID 6891142
N'-(4-hydroxybenzoyl)quinoline-2-carbohydrazide
CID 9119002
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
N'-(2,4-dihydroxybenzylidene)-2-ethyl-4-quinolinecarbohydrazide
CID 135457689
4-[(2,8-Dimethyl-quinolin-4-yl)-hydrazonomethyl]-phenol
CID 135468594
4-[(2,6,8-Trimethyl-quinolin-4-yl)-hydrazonomethyl]-phenol
CID 135468598
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
N'-(acridin-9-yl)-4-hydroxybenzohydrazide
CID 3138566
N'-(9-acridinyl)-2-hydroxybenzohydrazide
CID 3138567

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 135580184) is 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide is CCc1cc(C(=O)N/N=C/c2ccc(O)cc2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is YGUCSGRAPLABAF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-14-11-17(16-5-3-4-6-18(16)21-14)19(24)22-20-12-13-7-9-15(23)10-8-13/h3-12,23H,2H2,1H3,(H,22,24)/b20-12+.
What are the key properties of 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 135580184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).