7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

C20H21N3O2 — CID 44537231

IUPAC7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCOc1ccc2c(NN=Cc3cccc(OC)c3)cc(C)nc2c1
InChIInChI=1S/C20H21N3O2/c1-4-25-17-8-9-18-19(12-17)22-14(2)10-20(18)23-21-13-15-6-5-7-16(11-15)24-3/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyVGEVGTWKOGDMJH-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.40
Rot. Bonds6

About 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 44537231) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID44537231
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCOc1ccc2c(NN=Cc3cccc(OC)c3)cc(C)nc2c1
InChIInChI=1S/C20H21N3O2/c1-4-25-17-8-9-18-19(12-17)22-14(2)10-20(18)23-21-13-15-6-5-7-16(11-15)24-3/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyVGEVGTWKOGDMJH-UHFFFAOYSA-N
XLogP4.40
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.40
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 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine (CID 44537231) is 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine is CCOc1ccc2c(NN=Cc3cccc(OC)c3)cc(C)nc2c1.
What is the InChIKey of 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is VGEVGTWKOGDMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-25-17-8-9-18-19(12-17)22-14(2)10-20(18)23-21-13-15-6-5-7-16(11-15)24-3/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-[(3-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 44537231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).