5,8-dichloro-N-ethyl-6-methylquinolin-4-amine

C12H12Cl2N2 — CID 104728177

IUPAC5,8-dichloro-N-ethyl-6-methylquinolin-4-amine
SMILESCCNc1ccnc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C12H12Cl2N2/c1-3-15-9-4-5-16-12-8(13)6-7(2)11(14)10(9)12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyOYFQCMZGKLDNEL-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.28
Rot. Bonds2

About 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine

5,8-dichloro-N-ethyl-6-methylquinolin-4-amine (PubChem CID 104728177) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N-ethyl-6-methylquinolin-4-amine
PubChem CID104728177
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name5,8-dichloro-N-ethyl-6-methylquinolin-4-amine
SMILESCCNc1ccnc2c(Cl)cc(C)c(Cl)c12
InChIInChI=1S/C12H12Cl2N2/c1-3-15-9-4-5-16-12-8(13)6-7(2)11(14)10(9)12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyOYFQCMZGKLDNEL-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
The IUPAC name of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine (CID 104728177) is 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
The canonical SMILES for 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine is CCNc1ccnc2c(Cl)cc(C)c(Cl)c12.
What is the InChIKey of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
The InChIKey is OYFQCMZGKLDNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-3-15-9-4-5-16-12-8(13)6-7(2)11(14)10(9)12/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine?
5,8-dichloro-N-ethyl-6-methylquinolin-4-amine has a molecular weight of 255.15 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N-ethyl-6-methylquinolin-4-amine is sourced from PubChem (CID 104728177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).