N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine

C20H21N3O2 — CID 3141444

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine
SMILESCOc1ccc(OC)c(C=NNc2cc(C)c3cc(C)ccc3n2)c1
InChIInChI=1S/C20H21N3O2/c1-13-5-7-18-17(9-13)14(2)10-20(22-18)23-21-12-15-11-16(24-3)6-8-19(15)25-4/h5-12H,1-4H3,(H,22,23)
InChIKeyDQPABXYHYNXXNY-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.31
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine

N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine (PubChem CID 3141444) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine
PubChem CID3141444
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine
SMILESCOc1ccc(OC)c(C=NNc2cc(C)c3cc(C)ccc3n2)c1
InChIInChI=1S/C20H21N3O2/c1-13-5-7-18-17(9-13)14(2)10-20(22-18)23-21-12-15-11-16(24-3)6-8-19(15)25-4/h5-12H,1-4H3,(H,22,23)
InChIKeyDQPABXYHYNXXNY-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine (CID 3141444) is N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine is COc1ccc(OC)c(C=NNc2cc(C)c3cc(C)ccc3n2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine?
The InChIKey is DQPABXYHYNXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-5-7-18-17(9-13)14(2)10-20(22-18)23-21-12-15-11-16(24-3)6-8-19(15)25-4/h5-12H,1-4H3,(H,22,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine?
N-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-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-[(2,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylquinolin-2-amine is sourced from PubChem (CID 3141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).