N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide

C20H19N3O3 — CID 6875795

IUPACN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3nc2C)c1
InChIInChI=1S/C20H19N3O3/c1-13-17(11-14-6-4-5-7-18(14)22-13)20(24)23-21-12-15-10-16(25-2)8-9-19(15)26-3/h4-12H,1-3H3,(H,23,24)/b21-12+
InChIKeyYEKATJQEDQUBDC-CIAFOILYSA-N
MW349.39 g/mol
LogP3.32
Rot. Bonds5

About N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide (PubChem CID 6875795) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
PubChem CID6875795
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3nc2C)c1
InChIInChI=1S/C20H19N3O3/c1-13-17(11-14-6-4-5-7-18(14)22-13)20(24)23-21-12-15-10-16(25-2)8-9-19(15)26-3/h4-12H,1-3H3,(H,23,24)/b21-12+
InChIKeyYEKATJQEDQUBDC-CIAFOILYSA-N
XLogP3.32
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.32
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-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinoline-3-carboxamide
CID 5455436
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 5432429
6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
CID 134815918
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 3835530
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 176513819
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide (CID 6875795) is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide is COc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3nc2C)c1.
What is the InChIKey of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The InChIKey is YEKATJQEDQUBDC-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-17(11-14-6-4-5-7-18(14)22-13)20(24)23-21-12-15-10-16(25-2)8-9-19(15)26-3/h4-12H,1-3H3,(H,23,24)/b21-12+.
What are the key properties of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 6875795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).