1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

C16H15NO4 — CID 114819137

IUPAC1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)c3ccccc32)co1
InChIInChI=1S/C16H15NO4/c1-10-8-11(9-21-10)15(18)17-7-6-13(16(19)20)12-4-2-3-5-14(12)17/h2-5,8-9,13H,6-7H2,1H3,(H,19,20)
InChIKeyILUHKGJSYRRFSY-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.81
Rot. Bonds2

About 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 114819137) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID114819137
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)c3ccccc32)co1
InChIInChI=1S/C16H15NO4/c1-10-8-11(9-21-10)15(18)17-7-6-13(16(19)20)12-4-2-3-5-14(12)17/h2-5,8-9,13H,6-7H2,1H3,(H,19,20)
InChIKeyILUHKGJSYRRFSY-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 129395089
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
1-(dimethylaminocarbamoyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83019475
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 154746476
1-[2-(azetidin-3-ylidene)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 116678587
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574042
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 99631997
1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 114819137) is 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is Cc1cc(C(=O)N2CCC(C(=O)O)c3ccccc32)co1.
What is the InChIKey of 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is ILUHKGJSYRRFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-8-11(9-21-10)15(18)17-7-6-13(16(19)20)12-4-2-3-5-14(12)17/h2-5,8-9,13H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 114819137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).