1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

C16H19NO4 — CID 106902245

IUPAC1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)C2CCCCO2)C1
InChIInChI=1S/C16H19NO4/c18-15(14-7-3-4-8-21-14)17-10-12(16(19)20)9-11-5-1-2-6-13(11)17/h1-2,5-6,12,14H,3-4,7-10H2,(H,19,20)
InChIKeyUDMTUDFKVHGYAW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.85
Rot. Bonds2

About 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902245) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902245
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)C2CCCCO2)C1
InChIInChI=1S/C16H19NO4/c18-15(14-7-3-4-8-21-14)17-10-12(16(19)20)9-11-5-1-2-6-13(11)17/h1-2,5-6,12,14H,3-4,7-10H2,(H,19,20)
InChIKeyUDMTUDFKVHGYAW-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 107388687
1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901890
(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 71933453
(3R)-2-[(2S)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 30057206
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104855601
2-[1-[(2S)-oxolane-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 104855867
1-(2-methyloxolane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902441

Frequently Asked Questions

What is the IUPAC name of 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902245) is 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(C(=O)C2CCCCO2)C1.
What is the InChIKey of 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is UDMTUDFKVHGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(14-7-3-4-8-21-14)17-10-12(16(19)20)9-11-5-1-2-6-13(11)17/h1-2,5-6,12,14H,3-4,7-10H2,(H,19,20).
What are the key properties of 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).