5,8-dichloro-6-methyl-2-propylquinolin-4-amine

C13H14Cl2N2 — CID 104728203

IUPAC5,8-dichloro-6-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(N)c2c(Cl)c(C)cc(Cl)c2n1
InChIInChI=1S/C13H14Cl2N2/c1-3-4-8-6-10(16)11-12(15)7(2)5-9(14)13(11)17-8/h5-6H,3-4H2,1-2H3,(H2,16,17)
InChIKeySXAABEHARMQZFY-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.38
Rot. Bonds2

About 5,8-dichloro-6-methyl-2-propylquinolin-4-amine

5,8-dichloro-6-methyl-2-propylquinolin-4-amine (PubChem CID 104728203) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 5,8-dichloro-6-methyl-2-propylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-6-methyl-2-propylquinolin-4-amine
PubChem CID104728203
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name5,8-dichloro-6-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(N)c2c(Cl)c(C)cc(Cl)c2n1
InChIInChI=1S/C13H14Cl2N2/c1-3-4-8-6-10(16)11-12(15)7(2)5-9(14)13(11)17-8/h5-6H,3-4H2,1-2H3,(H2,16,17)
InChIKeySXAABEHARMQZFY-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-6-methyl-2-propylquinolin-4-amine?
The IUPAC name of 5,8-dichloro-6-methyl-2-propylquinolin-4-amine (CID 104728203) is 5,8-dichloro-6-methyl-2-propylquinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-6-methyl-2-propylquinolin-4-amine?
The canonical SMILES for 5,8-dichloro-6-methyl-2-propylquinolin-4-amine is CCCc1cc(N)c2c(Cl)c(C)cc(Cl)c2n1.
What is the InChIKey of 5,8-dichloro-6-methyl-2-propylquinolin-4-amine?
The InChIKey is SXAABEHARMQZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-3-4-8-6-10(16)11-12(15)7(2)5-9(14)13(11)17-8/h5-6H,3-4H2,1-2H3,(H2,16,17).
What are the key properties of 5,8-dichloro-6-methyl-2-propylquinolin-4-amine?
5,8-dichloro-6-methyl-2-propylquinolin-4-amine has a molecular weight of 269.18 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-6-methyl-2-propylquinolin-4-amine is sourced from PubChem (CID 104728203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).