7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine

C13H14Cl2N2O — CID 62320255

IUPAC7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C13H14Cl2N2O/c1-3-16-11-6-8(7-18-2)17-13-9(11)4-5-10(14)12(13)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyCLWNDBBQPGCCKE-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.12
Rot. Bonds4

About 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine

7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine (PubChem CID 62320255) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
PubChem CID62320255
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C13H14Cl2N2O/c1-3-16-11-6-8(7-18-2)17-13-9(11)4-5-10(14)12(13)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyCLWNDBBQPGCCKE-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine (CID 62320255) is 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is CLWNDBBQPGCCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-3-16-11-6-8(7-18-2)17-13-9(11)4-5-10(14)12(13)15/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 285.17 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 62320255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).