3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine

C18H26N2O — CID 63382523

IUPAC3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(OCC)cccc2cc1C(C)(C)C
InChIInChI=1S/C18H26N2O/c1-6-11-19-17-14(18(3,4)5)12-13-9-8-10-15(21-7-2)16(13)20-17/h8-10,12H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyRUEGZWURVNKWQK-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.75
Rot. Bonds5

About 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine

3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine (PubChem CID 63382523) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
PubChem CID63382523
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(OCC)cccc2cc1C(C)(C)C
InChIInChI=1S/C18H26N2O/c1-6-11-19-17-14(18(3,4)5)12-13-9-8-10-15(21-7-2)16(13)20-17/h8-10,12H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyRUEGZWURVNKWQK-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine (CID 63382523) is 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine is CCCNc1nc2c(OCC)cccc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine?
The InChIKey is RUEGZWURVNKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-11-19-17-14(18(3,4)5)12-13-9-8-10-15(21-7-2)16(13)20-17/h8-10,12H,6-7,11H2,1-5H3,(H,19,20).
What are the key properties of 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine?
3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine has a molecular weight of 286.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine is sourced from PubChem (CID 63382523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).