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

C16H15NO3S — CID 129395089

IUPAC(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)s1
InChIInChI=1S/C16H15NO3S/c1-10-6-7-14(21-10)15(18)17-9-8-12(16(19)20)11-4-2-3-5-13(11)17/h2-7,12H,8-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyRCACUEZJPIPMPP-GFCCVEGCSA-N
MW301.37 g/mol
LogP3.28
Rot. Bonds2

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

(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 129395089) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID129395089
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)s1
InChIInChI=1S/C16H15NO3S/c1-10-6-7-14(21-10)15(18)17-9-8-12(16(19)20)11-4-2-3-5-13(11)17/h2-7,12H,8-9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyRCACUEZJPIPMPP-GFCCVEGCSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 114819137
1-(dimethylaminocarbamoyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83019475
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574015
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336602
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
1-[2-(azetidin-3-ylidene)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 116678587
1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
1-[2-(2-methylcyclohexyl)oxyacetyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 154742281
1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691318
5-(5-methylthiophene-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 21331536

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 129395089) is (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is Cc1ccc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)s1.
What is the InChIKey of (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is RCACUEZJPIPMPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10-6-7-14(21-10)15(18)17-9-8-12(16(19)20)11-4-2-3-5-13(11)17/h2-7,12H,8-9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid?
(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 129395089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).