N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine

C20H21N3O2 — CID 3141487

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
SMILESCOc1ccc(C=NNc2cc(C)nc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C20H21N3O2/c1-13-5-8-18-17(9-13)19(10-14(2)22-18)23-21-12-15-6-7-16(24-3)11-20(15)25-4/h5-12H,1-4H3,(H,22,23)
InChIKeyMFXAJPQMCYOPOU-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.31
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine

N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine (PubChem CID 3141487) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
PubChem CID3141487
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
SMILESCOc1ccc(C=NNc2cc(C)nc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C20H21N3O2/c1-13-5-8-18-17(9-13)19(10-14(2)22-18)23-21-12-15-6-7-16(24-3)11-20(15)25-4/h5-12H,1-4H3,(H,22,23)
InChIKeyMFXAJPQMCYOPOU-UHFFFAOYSA-N
XLogP4.31
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.31
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-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842200
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115
7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 45268450
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinoline-3-carboxamide
CID 5455436

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine (CID 3141487) is N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine is COc1ccc(C=NNc2cc(C)nc3ccc(C)cc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
The InChIKey is MFXAJPQMCYOPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-5-8-18-17(9-13)19(10-14(2)22-18)23-21-12-15-6-7-16(24-3)11-20(15)25-4/h5-12H,1-4H3,(H,22,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine is sourced from PubChem (CID 3141487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).