N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide

C16H24N2O2 — CID 154145381

IUPACN-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)NC1C=CC=C2C1CCCN2CC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-12(19)17-15-7-2-8-16-14(15)6-3-9-18(16)11-13-5-4-10-20-13/h2,7-8,13-15H,3-6,9-11H2,1H3,(H,17,19)
InChIKeyROIJKUGKKNHELP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide

N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide (PubChem CID 154145381) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide
PubChem CID154145381
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)NC1C=CC=C2C1CCCN2CC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-12(19)17-15-7-2-8-16-14(15)6-3-9-18(16)11-13-5-4-10-20-13/h2,7-8,13-15H,3-6,9-11H2,1H3,(H,17,19)
InChIKeyROIJKUGKKNHELP-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide (CID 154145381) is N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide is CC(=O)NC1C=CC=C2C1CCCN2CC1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide?
The InChIKey is ROIJKUGKKNHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)17-15-7-2-8-16-14(15)6-3-9-18(16)11-13-5-4-10-20-13/h2,7-8,13-15H,3-6,9-11H2,1H3,(H,17,19).
What are the key properties of N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide?
N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)-3,4,4a,5-tetrahydro-2H-quinolin-5-yl]acetamide is sourced from PubChem (CID 154145381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).