3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine

C16H20N2O — CID 133438561

IUPAC3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
SMILESCCc1c(C)nc2ccccc2c1NC1CCOC1
InChIInChI=1S/C16H20N2O/c1-3-13-11(2)17-15-7-5-4-6-14(15)16(13)18-12-8-9-19-10-12/h4-7,12H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyODWOSHKOVKLOSD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.31
Rot. Bonds3

About 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine

3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine (PubChem CID 133438561) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
PubChem CID133438561
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
SMILESCCc1c(C)nc2ccccc2c1NC1CCOC1
InChIInChI=1S/C16H20N2O/c1-3-13-11(2)17-15-7-5-4-6-14(15)16(13)18-12-8-9-19-10-12/h4-7,12H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyODWOSHKOVKLOSD-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine?
The IUPAC name of 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine (CID 133438561) is 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine is CCc1c(C)nc2ccccc2c1NC1CCOC1.
What is the InChIKey of 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine?
The InChIKey is ODWOSHKOVKLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-13-11(2)17-15-7-5-4-6-14(15)16(13)18-12-8-9-19-10-12/h4-7,12H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine?
3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine is sourced from PubChem (CID 133438561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).