oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate

C17H22N2O4 — CID 166200594

IUPACoxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(=O)NC1Cc2ccccc2N(C(=O)OCC2CCCO2)C1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-9-13-5-2-3-7-16(13)19(10-14)17(21)23-11-15-6-4-8-22-15/h2-3,5,7,14-15H,4,6,8-11H2,1H3,(H,18,20)
InChIKeyUVHDAHNQOPEWJU-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.87
Rot. Bonds3

About oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate

oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 166200594) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID166200594
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameoxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(=O)NC1Cc2ccccc2N(C(=O)OCC2CCCO2)C1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-9-13-5-2-3-7-16(13)19(10-14)17(21)23-11-15-6-4-8-22-15/h2-3,5,7,14-15H,4,6,8-11H2,1H3,(H,18,20)
InChIKeyUVHDAHNQOPEWJU-UHFFFAOYSA-N
XLogP1.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57347305
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
CID 124917947
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
N-[1-(2-quinolin-8-yloxyacetyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide
CID 154806574
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454
benzyl [(3R)-3-acetamido-3,4-dihydro-2H-quinolin-1-yl]sulfonylformate
CID 134265889
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160363
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
CID 54821154

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate (CID 166200594) is oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate is CC(=O)NC1Cc2ccccc2N(C(=O)OCC2CCCO2)C1.
What is the InChIKey of oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is UVHDAHNQOPEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)18-14-9-13-5-2-3-7-16(13)19(10-14)17(21)23-11-15-6-4-8-22-15/h2-3,5,7,14-15H,4,6,8-11H2,1H3,(H,18,20).
What are the key properties of oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 166200594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).