N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine

C18H16FN3O — CID 44537114

IUPACN-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NN=Cc3cccc(F)c3)cc(C)nc2c1
InChIInChI=1S/C18H16FN3O/c1-12-8-18(16-7-6-15(23-2)10-17(16)21-12)22-20-11-13-4-3-5-14(19)9-13/h3-11H,1-2H3,(H,21,22)
InChIKeyXJMHVDNPADBWBT-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.14
Rot. Bonds4

About N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine

N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine (PubChem CID 44537114) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
PubChem CID44537114
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NN=Cc3cccc(F)c3)cc(C)nc2c1
InChIInChI=1S/C18H16FN3O/c1-12-8-18(16-7-6-15(23-2)10-17(16)21-12)22-20-11-13-4-3-5-14(19)9-13/h3-11H,1-2H3,(H,21,22)
InChIKeyXJMHVDNPADBWBT-UHFFFAOYSA-N
XLogP4.14
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.14
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-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine (CID 44537114) is N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine is COc1ccc2c(NN=Cc3cccc(F)c3)cc(C)nc2c1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is XJMHVDNPADBWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-8-18(16-7-6-15(23-2)10-17(16)21-12)22-20-11-13-4-3-5-14(19)9-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 309.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).