5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine

C13H13Cl2FN2O — CID 107578795

IUPAC5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2cc(Cl)c(F)c(Cl)c12
InChIInChI=1S/C13H13Cl2FN2O/c1-3-17-9-4-7(6-19-2)18-10-5-8(14)13(16)12(15)11(9)10/h4-5H,3,6H2,1-2H3,(H,17,18)
InChIKeyCZFRDYHJEAVXOT-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.26
Rot. Bonds4

About 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine

5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 107578795) has the molecular formula C13H13Cl2FN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID107578795
Molecular FormulaC13H13Cl2FN2O
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2cc(Cl)c(F)c(Cl)c12
InChIInChI=1S/C13H13Cl2FN2O/c1-3-17-9-4-7(6-19-2)18-10-5-8(14)13(16)12(15)11(9)10/h4-5H,3,6H2,1-2H3,(H,17,18)
InChIKeyCZFRDYHJEAVXOT-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine with MolForge

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Related Compounds

N-ethyl-7-fluoro-2-(methoxymethyl)-5-methylquinolin-4-amine
CID 79047549
6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 113363427
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636
8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 62320077
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 55132058
7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 62320255
4,5,7-trichloro-6-fluoro-2-propylquinoline
CID 107577483
N-ethyl-5-(methoxymethyl)thieno[3,2-b]pyridin-7-amine
CID 66353296
8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 107531260
7-chloro-2-(methoxymethyl)-6-methyl-N-propylquinolin-4-amine
CID 104722052
5-chloro-8-fluoro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320818
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 107578795) is 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2cc(Cl)c(F)c(Cl)c12.
What is the InChIKey of 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is CZFRDYHJEAVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN2O/c1-3-17-9-4-7(6-19-2)18-10-5-8(14)13(16)12(15)11(9)10/h4-5H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine?
5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 303.16 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 107578795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).