N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C27H25N3O3 — CID 135907322

IUPACN-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O
InChIInChI=1S/C27H25N3O3/c1-4-23(22-14-19(31)10-12-26(22)32)29-30-27(33)21-15-25(18-8-5-16(2)6-9-18)28-24-11-7-17(3)13-20(21)24/h5-15,31-32H,4H2,1-3H3,(H,30,33)/b29-23-
InChIKeyBYAYXRQSKMGLBZ-FAJYDZGRSA-N
MW439.52 g/mol
LogP5.47
Rot. Bonds5

About N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 135907322) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID135907322
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O
InChIInChI=1S/C27H25N3O3/c1-4-23(22-14-19(31)10-12-26(22)32)29-30-27(33)21-15-25(18-8-5-16(2)6-9-18)28-24-11-7-17(3)13-20(21)24/h5-15,31-32H,4H2,1-3H3,(H,30,33)/b29-23-
InChIKeyBYAYXRQSKMGLBZ-FAJYDZGRSA-N
XLogP5.47
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 ≤ 55.47
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-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 135621528
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)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767867
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
CID 3165781
(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
CID 7417343
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 135907322) is N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is CC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O.
What is the InChIKey of N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is BYAYXRQSKMGLBZ-FAJYDZGRSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-4-23(22-14-19(31)10-12-26(22)32)29-30-27(33)21-15-25(18-8-5-16(2)6-9-18)28-24-11-7-17(3)13-20(21)24/h5-15,31-32H,4H2,1-3H3,(H,30,33)/b29-23-.
What are the key properties of N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 135907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).