8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine

C11H10ClFN2O — CID 107531286

IUPAC8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCOCc1cc(N)c2c(F)ccc(Cl)c2n1
InChIInChI=1S/C11H10ClFN2O/c1-16-5-6-4-9(14)10-8(13)3-2-7(12)11(10)15-6/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyNLJMGKZWJCRLGK-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.76
Rot. Bonds2

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

8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 107531286) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID107531286
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCOCc1cc(N)c2c(F)ccc(Cl)c2n1
InChIInChI=1S/C11H10ClFN2O/c1-16-5-6-4-9(14)10-8(13)3-2-7(12)11(10)15-6/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyNLJMGKZWJCRLGK-UHFFFAOYSA-N
XLogP2.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-ethyl-5-fluoroquinolin-4-amine
CID 107531270
5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-amine
CID 62318416
8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 107531260
5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320818
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine
CID 107531305
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 55132058
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636
8-chloro-2-ethyl-5-fluoro-N-methylquinolin-4-amine
CID 107531263
[5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62319205
2-(2,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319145
[7-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
CID 62318482

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 107531286) is 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine is COCc1cc(N)c2c(F)ccc(Cl)c2n1.
What is the InChIKey of 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is NLJMGKZWJCRLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-16-5-6-4-9(14)10-8(13)3-2-7(12)11(10)15-6/h2-4H,5H2,1H3,(H2,14,15).
What are the key properties of 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine?
8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 240.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 107531286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).