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

C18H16FN3O — CID 44537115

IUPACN-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NN=Cc3ccc(F)cc3)cc(C)nc2c1
InChIInChI=1S/C18H16FN3O/c1-12-9-18(16-8-7-15(23-2)10-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyBTGOAXPANNZOFS-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.14
Rot. Bonds4

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

N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine (PubChem CID 44537115) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
PubChem CID44537115
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NN=Cc3ccc(F)cc3)cc(C)nc2c1
InChIInChI=1S/C18H16FN3O/c1-12-9-18(16-8-7-15(23-2)10-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyBTGOAXPANNZOFS-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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Related Compounds

N-(4-fluorophenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435606
7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 45268450
N-[(E)-(4-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481253
N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
CID 44537203
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
CID 44537201
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 3141487
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine (CID 44537115) is N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine is COc1ccc2c(NN=Cc3ccc(F)cc3)cc(C)nc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is BTGOAXPANNZOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-9-18(16-8-7-15(23-2)10-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine?
N-[(4-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-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 44537115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).