1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid

C16H15N3O3S — CID 14023666

IUPAC1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(-c3csc(NC)n3)cc21
InChIInChI=1S/C16H15N3O3S/c1-3-19-7-11(15(21)22)14(20)10-5-4-9(6-13(10)19)12-8-23-16(17-2)18-12/h4-8H,3H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyQTAWVESXUZRGKX-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.88
Rot. Bonds4

About 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid

1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 14023666) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID14023666
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(-c3csc(NC)n3)cc21
InChIInChI=1S/C16H15N3O3S/c1-3-19-7-11(15(21)22)14(20)10-5-4-9(6-13(10)19)12-8-23-16(17-2)18-12/h4-8H,3H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyQTAWVESXUZRGKX-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819
1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid
CID 14023658
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
CID 70388183
1-ethyl-7-[6-(ethylcarbamoylamino)-4-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 143904134
4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 96679580
5-ethyl-8-oxo-1H-imidazo[4,5-g]quinoline-7-carboxylic acid
CID 14494846
ethyl 6-chloro-1-ethyl-4-oxo-7-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxylate
CID 15050584
N,1-diethyl-6-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-oxoquinoline-3-carboxamide
CID 59415831
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
1-ethyl-7-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-4-oxoquinoline-3-carboxylic acid
CID 71660714
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid (CID 14023666) is 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(-c3csc(NC)n3)cc21.
What is the InChIKey of 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is QTAWVESXUZRGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-19-7-11(15(21)22)14(20)10-5-4-9(6-13(10)19)12-8-23-16(17-2)18-12/h4-8H,3H2,1-2H3,(H,17,18)(H,21,22).
What are the key properties of 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid?
1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 329.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 14023666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).