N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide

C24H20N4O2 — CID 5120682

IUPACN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
SMILESCOc1cc(C=NN/C(=N\c2ccccc2)c2ccc3ccccc3n2)ccc1O
InChIInChI=1S/C24H20N4O2/c1-30-23-15-17(11-14-22(23)29)16-25-28-24(26-19-8-3-2-4-9-19)21-13-12-18-7-5-6-10-20(18)27-21/h2-16,29H,1H3,(H,26,28)
InChIKeyIOCATODENFJHNB-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.65
Rot. Bonds5

About N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide (PubChem CID 5120682) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
PubChem CID5120682
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
SMILESCOc1cc(C=NN/C(=N\c2ccccc2)c2ccc3ccccc3n2)ccc1O
InChIInChI=1S/C24H20N4O2/c1-30-23-15-17(11-14-22(23)29)16-25-28-24(26-19-8-3-2-4-9-19)21-13-12-18-7-5-6-10-20(18)27-21/h2-16,29H,1H3,(H,26,28)
InChIKeyIOCATODENFJHNB-UHFFFAOYSA-N
XLogP4.65
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120507
N'-(4-methylphenyl)-N-[[4-[[[N-(4-methylphenyl)-C-quinolin-2-ylcarbonimidoyl]hydrazinylidene]methyl]phenyl]methylideneamino]quinoline-2-carboximidamide
CID 4636500
N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
CID 4711094
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide
CID 135436860
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659168
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 135785158
N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 19260403
N-[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide
CID 59092385
N-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]quinoline-2-carboxamide
CID 54571447
N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659163
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659164

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide (CID 5120682) is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide is COc1cc(C=NN/C(=N\c2ccccc2)c2ccc3ccccc3n2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
The InChIKey is IOCATODENFJHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-23-15-17(11-14-22(23)29)16-25-28-24(26-19-8-3-2-4-9-19)21-13-12-18-7-5-6-10-20(18)27-21/h2-16,29H,1H3,(H,26,28).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide?
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide has a molecular weight of 396.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide is sourced from PubChem (CID 5120682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).