N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide

C27H25N3O3 — CID 135621528

IUPACN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(O)ccc3O)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H25N3O3/c1-4-18-6-8-19(9-7-18)25-15-23(22-13-16(2)5-11-24(22)28-25)27(33)30-29-17(3)21-14-20(31)10-12-26(21)32/h5-15,31-32H,4H2,1-3H3,(H,30,33)/b29-17+
InChIKeyFSKPZMHSPLRVPD-STBIYBPSSA-N
MW439.52 g/mol
LogP5.34
Rot. Bonds5

About N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide (PubChem CID 135621528) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
PubChem CID135621528
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(O)ccc3O)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H25N3O3/c1-4-18-6-8-19(9-7-18)25-15-23(22-13-16(2)5-11-24(22)28-25)27(33)30-29-17(3)21-14-20(31)10-12-26(21)32/h5-15,31-32H,4H2,1-3H3,(H,30,33)/b29-17+
InChIKeyFSKPZMHSPLRVPD-STBIYBPSSA-N
XLogP5.34
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 135907320
N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135907322
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935
2-(1,3-benzodioxol-5-yl)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 135621531
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide (CID 135621528) is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(O)ccc3O)c3cc(C)ccc3n2)cc1.
What is the InChIKey of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is FSKPZMHSPLRVPD-STBIYBPSSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-4-18-6-8-19(9-7-18)25-15-23(22-13-16(2)5-11-24(22)28-25)27(33)30-29-17(3)21-14-20(31)10-12-26(21)32/h5-15,31-32H,4H2,1-3H3,(H,30,33)/b29-17+.
What are the key properties of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 135621528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).