5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine

C15H18Cl2N2 — CID 55196144

IUPAC5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C15H18Cl2N2/c1-4-8-18-14-10(5-2)9(3)19-15-12(17)7-6-11(16)13(14)15/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyDGVDHFJFZMLGJF-UHFFFAOYSA-N
MW297.23 g/mol
LogP5.23
Rot. Bonds4

About 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine

5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine (PubChem CID 55196144) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
PubChem CID55196144
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C15H18Cl2N2/c1-4-8-18-14-10(5-2)9(3)19-15-12(17)7-6-11(16)13(14)15/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyDGVDHFJFZMLGJF-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.23
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine (CID 55196144) is 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine?
The InChIKey is DGVDHFJFZMLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-4-8-18-14-10(5-2)9(3)19-15-12(17)7-6-11(16)13(14)15/h6-7H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine?
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine has a molecular weight of 297.23 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 55196144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).