N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine

C18H16F2N2O — CID 19900502

IUPACN-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NCc3c(F)cccc3F)cc(C)nc12
InChIInChI=1S/C18H16F2N2O/c1-11-9-16(12-5-3-8-17(23-2)18(12)22-11)21-10-13-14(19)6-4-7-15(13)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyIEDJPQMGFNUMBC-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.44
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine

N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine (PubChem CID 19900502) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
PubChem CID19900502
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NCc3c(F)cccc3F)cc(C)nc12
InChIInChI=1S/C18H16F2N2O/c1-11-9-16(12-5-3-8-17(23-2)18(12)22-11)21-10-13-14(19)6-4-7-15(13)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyIEDJPQMGFNUMBC-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine (CID 19900502) is N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(NCc3c(F)cccc3F)cc(C)nc12.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is IEDJPQMGFNUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-11-9-16(12-5-3-8-17(23-2)18(12)22-11)21-10-13-14(19)6-4-7-15(13)20/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine?
N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 314.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 19900502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).