7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine

C21H18N4O — CID 45268450

IUPAC7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
SMILESCOc1ccc2c(N/N=C/c3ccc4ccccc4n3)cc(C)nc2c1
InChIInChI=1S/C21H18N4O/c1-14-11-21(18-10-9-17(26-2)12-20(18)23-14)25-22-13-16-8-7-15-5-3-4-6-19(15)24-16/h3-13H,1-2H3,(H,23,25)/b22-13+
InChIKeyFVSJZPUMARYERU-LPYMAVHISA-N
MW342.40 g/mol
LogP4.55
Rot. Bonds4

About 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine

7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine (PubChem CID 45268450) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
PubChem CID45268450
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
SMILESCOc1ccc2c(N/N=C/c3ccc4ccccc4n3)cc(C)nc2c1
InChIInChI=1S/C21H18N4O/c1-14-11-21(18-10-9-17(26-2)12-20(18)23-14)25-22-13-16-8-7-15-5-3-4-6-19(15)24-16/h3-13H,1-2H3,(H,23,25)/b22-13+
InChIKeyFVSJZPUMARYERU-LPYMAVHISA-N
XLogP4.55
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.55
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-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
The IUPAC name of 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine (CID 45268450) is 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
The canonical SMILES for 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine is COc1ccc2c(N/N=C/c3ccc4ccccc4n3)cc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
The InChIKey is FVSJZPUMARYERU-LPYMAVHISA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-11-21(18-10-9-17(26-2)12-20(18)23-14)25-22-13-16-8-7-15-5-3-4-6-19(15)24-16/h3-13H,1-2H3,(H,23,25)/b22-13+.
What are the key properties of 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine has a molecular weight of 342.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine is sourced from PubChem (CID 45268450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).