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

C18H16ClN3O — CID 44537107

IUPACN-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C18H16ClN3O/c1-12-9-18(15-10-14(23-2)7-8-17(15)21-12)22-20-11-13-5-3-4-6-16(13)19/h3-11H,1-2H3,(H,21,22)
InChIKeyDQDASCRIUGTYJL-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.65
Rot. Bonds4

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

N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine (PubChem CID 44537107) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
PubChem CID44537107
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C18H16ClN3O/c1-12-9-18(15-10-14(23-2)7-8-17(15)21-12)22-20-11-13-5-3-4-6-16(13)19/h3-11H,1-2H3,(H,21,22)
InChIKeyDQDASCRIUGTYJL-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine (CID 44537107) is N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is DQDASCRIUGTYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-9-18(15-10-14(23-2)7-8-17(15)21-12)22-20-11-13-5-3-4-6-16(13)19/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine?
N-[(2-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-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).