N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

C28H27N3O4 — CID 135907320

IUPACN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O
InChIInChI=1S/C28H27N3O4/c1-16(2)35-21-9-6-19(7-10-21)26-15-24(23-13-17(3)5-11-25(23)29-26)28(34)31-30-18(4)22-14-20(32)8-12-27(22)33/h5-16,32-33H,1-4H3,(H,31,34)/b30-18-
InChIKeyUQHOACXAJNPOLB-YKQZZPSBSA-N
MW469.54 g/mol
LogP5.56
Rot. Bonds6

About N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 135907320) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID135907320
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O
InChIInChI=1S/C28H27N3O4/c1-16(2)35-21-9-6-19(7-10-21)26-15-24(23-13-17(3)5-11-25(23)29-26)28(34)31-30-18(4)22-14-20(32)8-12-27(22)33/h5-16,32-33H,1-4H3,(H,31,34)/b30-18-
InChIKeyUQHOACXAJNPOLB-YKQZZPSBSA-N
XLogP5.56
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)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
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
6-[[4-[C-methyl-N-[[6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]carbonimidoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 171316391
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
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
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide
CID 135605727
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide (CID 135907320) is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O.
What is the InChIKey of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is UQHOACXAJNPOLB-YKQZZPSBSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-16(2)35-21-9-6-19(7-10-21)26-15-24(23-13-17(3)5-11-25(23)29-26)28(34)31-30-18(4)22-14-20(32)8-12-27(22)33/h5-16,32-33H,1-4H3,(H,31,34)/b30-18-.
What are the key properties of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-6-methyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 135907320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).