N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine

C18H17FN2O — CID 19900506

IUPACN-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3F)cc(C)nc12
InChIInChI=1S/C18H17FN2O/c1-12-10-16(20-11-13-6-3-4-8-15(13)19)14-7-5-9-17(22-2)18(14)21-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyAJJIZSGMPXDCPZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.30
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine

N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine (PubChem CID 19900506) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
PubChem CID19900506
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3F)cc(C)nc12
InChIInChI=1S/C18H17FN2O/c1-12-10-16(20-11-13-6-3-4-8-15(13)19)14-7-5-9-17(22-2)18(14)21-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyAJJIZSGMPXDCPZ-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-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine (CID 19900506) is N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(NCc3ccccc3F)cc(C)nc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is AJJIZSGMPXDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-10-16(20-11-13-6-3-4-8-15(13)19)14-7-5-9-17(22-2)18(14)21-12/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
N-[(2-fluorophenyl)methyl]-8-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-[(2-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 19900506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).