2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C18H24N2O — CID 104997435

IUPAC2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2ccnc3ccccc23)C1C
InChIInChI=1S/C18H24N2O/c1-11-12(2)21-13(3)18(11)16(19)10-14-8-9-20-17-7-5-4-6-15(14)17/h4-9,11-13,16,18H,10,19H2,1-3H3
InChIKeyQYPRCWSEAJMQQK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.16
Rot. Bonds3

About 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 104997435) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID104997435
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2ccnc3ccccc23)C1C
InChIInChI=1S/C18H24N2O/c1-11-12(2)21-13(3)18(11)16(19)10-14-8-9-20-17-7-5-4-6-15(14)17/h4-9,11-13,16,18H,10,19H2,1-3H3
InChIKeyQYPRCWSEAJMQQK-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 104997435) is 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2ccnc3ccccc23)C1C.
What is the InChIKey of 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is QYPRCWSEAJMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11-12(2)21-13(3)18(11)16(19)10-14-8-9-20-17-7-5-4-6-15(14)17/h4-9,11-13,16,18H,10,19H2,1-3H3.
What are the key properties of 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 104997435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).