N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine

C18H17FN2O — CID 4798059

IUPACN-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H17FN2O/c1-12-9-18(20-11-13-3-5-14(19)6-4-13)16-10-15(22-2)7-8-17(16)21-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyNWJCMSSQJWHTAI-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.30
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine

N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine (PubChem CID 4798059) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine
PubChem CID4798059
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H17FN2O/c1-12-9-18(20-11-13-3-5-14(19)6-4-13)16-10-15(22-2)7-8-17(16)21-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyNWJCMSSQJWHTAI-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine (CID 4798059) is N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is NWJCMSSQJWHTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-9-18(20-11-13-3-5-14(19)6-4-13)16-10-15(22-2)7-8-17(16)21-12/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 296.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 4798059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).