6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine

C17H16N4O — CID 44537047

IUPAC6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NN=Cc3ccncc3)c2c1
InChIInChI=1S/C17H16N4O/c1-12-9-17(21-19-11-13-5-7-18-8-6-13)15-10-14(22-2)3-4-16(15)20-12/h3-11H,1-2H3,(H,20,21)
InChIKeyNZDKBUMDVGYHHG-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.39
Rot. Bonds4

About 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine

6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine (PubChem CID 44537047) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine
PubChem CID44537047
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NN=Cc3ccncc3)c2c1
InChIInChI=1S/C17H16N4O/c1-12-9-17(21-19-11-13-5-7-18-8-6-13)15-10-14(22-2)3-4-16(15)20-12/h3-11H,1-2H3,(H,20,21)
InChIKeyNZDKBUMDVGYHHG-UHFFFAOYSA-N
XLogP3.39
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.39
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 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine (CID 44537047) is 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine is COc1ccc2nc(C)cc(NN=Cc3ccncc3)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine?
The InChIKey is NZDKBUMDVGYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-9-17(21-19-11-13-5-7-18-8-6-13)15-10-14(22-2)3-4-16(15)20-12/h3-11H,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine?
6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine is sourced from PubChem (CID 44537047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).