1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

C16H19NO4 — CID 106902142

IUPAC1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)CC2CCCO2)C1
InChIInChI=1S/C16H19NO4/c18-15(9-13-5-3-7-21-13)17-10-12(16(19)20)8-11-4-1-2-6-14(11)17/h1-2,4,6,12-13H,3,5,7-10H2,(H,19,20)
InChIKeyVNWOSPHIRTYCGP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902142) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902142
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)CC2CCCO2)C1
InChIInChI=1S/C16H19NO4/c18-15(9-13-5-3-7-21-13)17-10-12(16(19)20)8-11-4-1-2-6-14(11)17/h1-2,4,6,12-13H,3,5,7-10H2,(H,19,20)
InChIKeyVNWOSPHIRTYCGP-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902245
1-[(6aR)-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 99848700
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 43172331
1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901919
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
(3R)-2-[2-[(2S)-oxan-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124609302
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(oxolan-2-yl)ethanone
CID 114335682
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119776734
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902142) is 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(C(=O)CC2CCCO2)C1.
What is the InChIKey of 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is VNWOSPHIRTYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(9-13-5-3-7-21-13)17-10-12(16(19)20)8-11-4-1-2-6-14(11)17/h1-2,4,6,12-13H,3,5,7-10H2,(H,19,20).
What are the key properties of 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).