N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine

C18H16ClN3O — CID 45480852

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N/N=C/c3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H16ClN3O/c1-12-8-18(16-10-15(23-2)6-7-17(16)21-12)22-20-11-13-4-3-5-14(19)9-13/h3-11H,1-2H3,(H,21,22)/b20-11+
InChIKeyFZSGQRVRLSUBIQ-RGVLZGJSSA-N
MW325.80 g/mol
LogP4.65
Rot. Bonds4

About N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine

N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine (PubChem CID 45480852) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
PubChem CID45480852
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N/N=C/c3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H16ClN3O/c1-12-8-18(16-10-15(23-2)6-7-17(16)21-12)22-20-11-13-4-3-5-14(19)9-13/h3-11H,1-2H3,(H,21,22)/b20-11+
InChIKeyFZSGQRVRLSUBIQ-RGVLZGJSSA-N
XLogP4.65
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.65
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'}

Analyze N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine (CID 45480852) is N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(N/N=C/c3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is FZSGQRVRLSUBIQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-8-18(16-10-15(23-2)6-7-17(16)21-12)22-20-11-13-4-3-5-14(19)9-13/h3-11H,1-2H3,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 45480852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).