1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

C16H15NO3S — CID 43325451

IUPAC1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H15NO3S/c1-10-6-8-21-14(10)15(18)17-7-2-3-11-9-12(16(19)20)4-5-13(11)17/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)
InChIKeyLXBSQMSAUHWTCP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.35
Rot. Bonds2

About 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 43325451) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID43325451
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H15NO3S/c1-10-6-8-21-14(10)15(18)17-7-2-3-11-9-12(16(19)20)4-5-13(11)17/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)
InChIKeyLXBSQMSAUHWTCP-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80644164
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55522961
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325444
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 114337100
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 43325451) is 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is Cc1ccsc1C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is LXBSQMSAUHWTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10-6-8-21-14(10)15(18)17-7-2-3-11-9-12(16(19)20)4-5-13(11)17/h4-6,8-9H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 43325451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).