6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine

C13H14ClFN2O — CID 113363427

IUPAC6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2cc(F)c(Cl)cc12
InChIInChI=1S/C13H14ClFN2O/c1-3-16-12-4-8(7-18-2)17-13-6-11(15)10(14)5-9(12)13/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyPLODGELYCQJJIK-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.61
Rot. Bonds4

About 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine

6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 113363427) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID113363427
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2cc(F)c(Cl)cc12
InChIInChI=1S/C13H14ClFN2O/c1-3-16-12-4-8(7-18-2)17-13-6-11(15)10(14)5-9(12)13/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyPLODGELYCQJJIK-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107578795
8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 62320077
7-chloro-2-(methoxymethyl)-6-methyl-N-propylquinolin-4-amine
CID 104722052
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636
7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 62320255
N-ethyl-7-fluoro-6-methyl-2-propylquinolin-4-amine
CID 103996204
N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine
CID 79047549
6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine
CID 107623093
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
N,2-diethyl-6,7-dimethoxyquinolin-4-amine
CID 55045702
N-ethyl-2-(methoxymethyl)-7,8-dimethylquinolin-4-amine
CID 62320256

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 113363427) is 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2cc(F)c(Cl)cc12.
What is the InChIKey of 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is PLODGELYCQJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-3-16-12-4-8(7-18-2)17-13-6-11(15)10(14)5-9(12)13/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine?
6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 268.72 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 113363427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).