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

C15H14N2O3S — CID 65199902

IUPAC1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCc1nc(C(=O)N2CCCc3cc(C(=O)O)ccc32)cs1
InChIInChI=1S/C15H14N2O3S/c1-9-16-12(8-21-9)14(18)17-6-2-3-10-7-11(15(19)20)4-5-13(10)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)
InChIKeyNXRIUEMAGMNFDR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.74
Rot. Bonds2

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

1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 65199902) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID65199902
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCc1nc(C(=O)N2CCCc3cc(C(=O)O)ccc32)cs1
InChIInChI=1S/C15H14N2O3S/c1-9-16-12(8-21-9)14(18)17-6-2-3-10-7-11(15(19)20)4-5-13(10)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)
InChIKeyNXRIUEMAGMNFDR-UHFFFAOYSA-N
XLogP2.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325451
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 99716081
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66373617
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 27039682
1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 103790198
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325444
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 55915411
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568097
1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115496318

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 65199902) is 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is Cc1nc(C(=O)N2CCCc3cc(C(=O)O)ccc32)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is NXRIUEMAGMNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-16-12(8-21-9)14(18)17-6-2-3-10-7-11(15(19)20)4-5-13(10)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 65199902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).