N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide

C25H21N3O3 — CID 10251061

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)c3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C25H21N3O3/c1-28-23(24(29)27-26-16-17-12-14-19(31-2)15-13-17)22(18-8-4-3-5-9-18)20-10-6-7-11-21(20)25(28)30/h3-16H,1-2H3,(H,27,29)/b26-16+
InChIKeyIADDYDUDVHMPAZ-WGOQTCKBSA-N
MW411.46 g/mol
LogP3.98
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide (PubChem CID 10251061) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
PubChem CID10251061
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)c3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C25H21N3O3/c1-28-23(24(29)27-26-16-17-12-14-19(31-2)15-13-17)22(18-8-4-3-5-9-18)20-10-6-7-11-21(20)25(28)30/h3-16H,1-2H3,(H,27,29)/b26-16+
InChIKeyIADDYDUDVHMPAZ-WGOQTCKBSA-N
XLogP3.98
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 6218782
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide (CID 10251061) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)c3ccccc3c(=O)n2C)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The InChIKey is IADDYDUDVHMPAZ-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-28-23(24(29)27-26-16-17-12-14-19(31-2)15-13-17)22(18-8-4-3-5-9-18)20-10-6-7-11-21(20)25(28)30/h3-16H,1-2H3,(H,27,29)/b26-16+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide is sourced from PubChem (CID 10251061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).