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

C16H15NO4 — CID 106902026

IUPAC1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCc1ccoc1C(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C16H15NO4/c1-10-6-7-21-14(10)15(18)17-9-12(16(19)20)8-11-4-2-3-5-13(11)17/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKeyDMGCVJZLODIVGH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.49
Rot. Bonds2

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

1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902026) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902026
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCc1ccoc1C(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C16H15NO4/c1-10-6-7-21-14(10)15(18)17-9-12(16(19)20)8-11-4-2-3-5-13(11)17/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKeyDMGCVJZLODIVGH-UHFFFAOYSA-N
XLogP2.49
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-methylfuran-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574082
1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902381
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
(3S)-2-(3-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 30057606
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902469
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
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-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-(2-methyloxolane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902441
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
1-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902849

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902026) is 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is Cc1ccoc1C(=O)N1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is DMGCVJZLODIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-6-7-21-14(10)15(18)17-9-12(16(19)20)8-11-4-2-3-5-13(11)17/h2-7,12H,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).