7,8-dichloro-3-ethyl-2-methylquinolin-4-amine

C12H12Cl2N2 — CID 62203586

IUPAC7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(Cl)c(Cl)ccc2c1N
InChIInChI=1S/C12H12Cl2N2/c1-3-7-6(2)16-12-8(11(7)15)4-5-9(13)10(12)14/h4-5H,3H2,1-2H3,(H2,15,16)
InChIKeyTUKPFPATRJMYER-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.99
Rot. Bonds1

About 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine

7,8-dichloro-3-ethyl-2-methylquinolin-4-amine (PubChem CID 62203586) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine.

Molecular Properties

Compound Name7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
PubChem CID62203586
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(Cl)c(Cl)ccc2c1N
InChIInChI=1S/C12H12Cl2N2/c1-3-7-6(2)16-12-8(11(7)15)4-5-9(13)10(12)14/h4-5H,3H2,1-2H3,(H2,15,16)
InChIKeyTUKPFPATRJMYER-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine?
The IUPAC name of 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine (CID 62203586) is 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine.
What is the SMILES notation for 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine?
The canonical SMILES for 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine is CCc1c(C)nc2c(Cl)c(Cl)ccc2c1N.
What is the InChIKey of 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine?
The InChIKey is TUKPFPATRJMYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-3-7-6(2)16-12-8(11(7)15)4-5-9(13)10(12)14/h4-5H,3H2,1-2H3,(H2,15,16).
What are the key properties of 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine?
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine has a molecular weight of 255.15 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3-ethyl-2-methylquinolin-4-amine is sourced from PubChem (CID 62203586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).