5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine

C14H16Cl2N2 — CID 104728368

IUPAC5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
SMILESCCNc1nc2c(Cl)cc(C)c(Cl)c2cc1CC
InChIInChI=1S/C14H16Cl2N2/c1-4-9-7-10-12(16)8(3)6-11(15)13(10)18-14(9)17-5-2/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyJLFJDHJOEMDOQZ-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.84
Rot. Bonds3

About 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine

5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine (PubChem CID 104728368) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine.

Molecular Properties

Compound Name5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
PubChem CID104728368
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
SMILESCCNc1nc2c(Cl)cc(C)c(Cl)c2cc1CC
InChIInChI=1S/C14H16Cl2N2/c1-4-9-7-10-12(16)8(3)6-11(15)13(10)18-14(9)17-5-2/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyJLFJDHJOEMDOQZ-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.84
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,3-diethyl-6-methylquinolin-2-amine?
The IUPAC name of 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine (CID 104728368) is 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine.
What is the SMILES notation for 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine?
The canonical SMILES for 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine is CCNc1nc2c(Cl)cc(C)c(Cl)c2cc1CC.
What is the InChIKey of 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine?
The InChIKey is JLFJDHJOEMDOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-4-9-7-10-12(16)8(3)6-11(15)13(10)18-14(9)17-5-2/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine?
5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine has a molecular weight of 283.20 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine is sourced from PubChem (CID 104728368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).