2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine

C18H26N2O — CID 63481575

IUPAC2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine
SMILESCCCOc1cccc2c(NCC)cc(C(C)(C)C)nc12
InChIInChI=1S/C18H26N2O/c1-6-11-21-15-10-8-9-13-14(19-7-2)12-16(18(3,4)5)20-17(13)15/h8-10,12H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyKAROAJNEUKCPDL-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.75
Rot. Bonds5

About 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine

2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine (PubChem CID 63481575) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine
PubChem CID63481575
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine
SMILESCCCOc1cccc2c(NCC)cc(C(C)(C)C)nc12
InChIInChI=1S/C18H26N2O/c1-6-11-21-15-10-8-9-13-14(19-7-2)12-16(18(3,4)5)20-17(13)15/h8-10,12H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyKAROAJNEUKCPDL-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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Related Compounds

N,2-diethyl-8-propoxyquinolin-4-amine
CID 63481576
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
2-tert-butyl-8-methyl-N-propylquinolin-4-amine
CID 63481487
N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
CID 82449722
N,N'-bis(4-propoxyacridin-9-yl)butane-1,4-diamine
CID 21198496
N,3-diethyl-8-propoxyquinolin-2-amine
CID 63529540
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
CID 63480120
2-ethyl-8-propoxyquinolin-4-amine
CID 62203401
4-chloro-2-ethyl-8-propoxyquinoline
CID 43668471
N-ethyl-3-propan-2-yl-8-propoxyquinolin-2-amine
CID 63529541
N-ethyl-2,5-dipropoxyaniline
CID 82267866
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine (CID 63481575) is 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine is CCCOc1cccc2c(NCC)cc(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine?
The InChIKey is KAROAJNEUKCPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-11-21-15-10-8-9-13-14(19-7-2)12-16(18(3,4)5)20-17(13)15/h8-10,12H,6-7,11H2,1-5H3,(H,19,20).
What are the key properties of 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine?
2-tert-butyl-N-ethyl-8-propoxyquinolin-4-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 2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine is sourced from PubChem (CID 63481575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).