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

C21H18N4O — CID 24805849

IUPAC8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
SMILESCOc1cccc2c(N/N=C/c3ccc4ccccc4n3)cc(C)nc12
InChIInChI=1S/C21H18N4O/c1-14-12-19(17-7-5-9-20(26-2)21(17)23-14)25-22-13-16-11-10-15-6-3-4-8-18(15)24-16/h3-13H,1-2H3,(H,23,25)/b22-13+
InChIKeyYEPFQFBVLFHWKD-LPYMAVHISA-N
MW342.40 g/mol
LogP4.55
Rot. Bonds4

About 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine

8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine (PubChem CID 24805849) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
PubChem CID24805849
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
SMILESCOc1cccc2c(N/N=C/c3ccc4ccccc4n3)cc(C)nc12
InChIInChI=1S/C21H18N4O/c1-14-12-19(17-7-5-9-20(26-2)21(17)23-14)25-22-13-16-11-10-15-6-3-4-8-18(15)24-16/h3-13H,1-2H3,(H,23,25)/b22-13+
InChIKeyYEPFQFBVLFHWKD-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 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
The IUPAC name of 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine (CID 24805849) is 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine is COc1cccc2c(N/N=C/c3ccc4ccccc4n3)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
The InChIKey is YEPFQFBVLFHWKD-LPYMAVHISA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-12-19(17-7-5-9-20(26-2)21(17)23-14)25-22-13-16-11-10-15-6-3-4-8-18(15)24-16/h3-13H,1-2H3,(H,23,25)/b22-13+.
What are the key properties of 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine?
8-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 8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine is sourced from PubChem (CID 24805849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).