3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine

C18H26N2 — CID 63480478

IUPAC3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(C(C)C)cccc12
InChIInChI=1S/C18H26N2/c1-6-11-19-17-14(7-2)13(5)20-18-15(12(3)4)9-8-10-16(17)18/h8-10,12H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyQMCCDVMYRKJVHD-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.05
Rot. Bonds5

About 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine

3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 63480478) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
PubChem CID63480478
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(C(C)C)cccc12
InChIInChI=1S/C18H26N2/c1-6-11-19-17-14(7-2)13(5)20-18-15(12(3)4)9-8-10-16(17)18/h8-10,12H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyQMCCDVMYRKJVHD-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine (CID 63480478) is 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2c(C(C)C)cccc12.
What is the InChIKey of 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is QMCCDVMYRKJVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-11-19-17-14(7-2)13(5)20-18-15(12(3)4)9-8-10-16(17)18/h8-10,12H,6-7,11H2,1-5H3,(H,19,20).
What are the key properties of 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine?
3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 270.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).