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

C14H12N2O3S — CID 117214886

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H12N2O3S/c17-13(11-12(14(18)19)20-8-15-11)16-7-3-5-9-4-1-2-6-10(9)16/h1-2,4,6,8H,3,5,7H2,(H,18,19)
InChIKeyGNQFBJCSWLLBJM-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.43
Rot. Bonds2

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 117214886) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid
PubChem CID117214886
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H12N2O3S/c17-13(11-12(14(18)19)20-8-15-11)16-7-3-5-9-4-1-2-6-10(9)16/h1-2,4,6,8H,3,5,7H2,(H,18,19)
InChIKeyGNQFBJCSWLLBJM-UHFFFAOYSA-N
XLogP2.43
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449075
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanone
CID 119138472

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid (CID 117214886) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GNQFBJCSWLLBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(11-12(14(18)19)20-8-15-11)16-7-3-5-9-4-1-2-6-10(9)16/h1-2,4,6,8H,3,5,7H2,(H,18,19).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117214886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).