5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine

C12H12ClFN2O — CID 62320818

IUPAC5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C12H12ClFN2O/c1-15-10-5-7(6-17-2)16-12-9(14)4-3-8(13)11(10)12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyZYHCYWBAGZWXAC-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine

5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine (PubChem CID 62320818) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
PubChem CID62320818
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C12H12ClFN2O/c1-15-10-5-7(6-17-2)16-12-9(14)4-3-8(13)11(10)12/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyZYHCYWBAGZWXAC-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
7,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320254
8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 107531260
8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
CID 107531263
8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107531286
[5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62319205
5,8-difluoro-N-methyl-2-propylquinolin-4-amine
CID 62203411
5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 62318425
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636
5-bromo-8-iodo-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 114261033
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 55132058
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63087865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The IUPAC name of 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine (CID 62320818) is 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine is CNc1cc(COC)nc2c(F)ccc(Cl)c12.
What is the InChIKey of 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
The InChIKey is ZYHCYWBAGZWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-15-10-5-7(6-17-2)16-12-9(14)4-3-8(13)11(10)12/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine?
5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine has a molecular weight of 254.69 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 62320818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).