N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine

C18H17N3O — CID 19577710

IUPACN-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N/N=C/c3ccccc3)c2c1
InChIInChI=1S/C18H17N3O/c1-13-10-18(21-19-12-14-6-4-3-5-7-14)16-11-15(22-2)8-9-17(16)20-13/h3-12H,1-2H3,(H,20,21)/b19-12+
InChIKeyJUDRNGHLANLSBR-XDHOZWIPSA-N
MW291.35 g/mol
LogP4.00
Rot. Bonds4

About N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine

N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine (PubChem CID 19577710) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine
PubChem CID19577710
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N/N=C/c3ccccc3)c2c1
InChIInChI=1S/C18H17N3O/c1-13-10-18(21-19-12-14-6-4-3-5-7-14)16-11-15(22-2)8-9-17(16)20-13/h3-12H,1-2H3,(H,20,21)/b19-12+
InChIKeyJUDRNGHLANLSBR-XDHOZWIPSA-N
XLogP4.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine (CID 19577710) is N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(N/N=C/c3ccccc3)c2c1.
What is the InChIKey of N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is JUDRNGHLANLSBR-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-10-18(21-19-12-14-6-4-3-5-7-14)16-11-15(22-2)8-9-17(16)20-13/h3-12H,1-2H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine?
N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 19577710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).