(2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate

C17H18N2O3S — CID 95615350

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
SMILESCCc1nc(COC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cs1
InChIInChI=1S/C17H18N2O3S/c1-3-15-18-11(10-23-15)9-22-17(21)13-8-16(20)19(2)14-7-5-4-6-12(13)14/h4-7,10,13H,3,8-9H2,1-2H3/t13-/m1/s1
InChIKeyXSKAGJDFZZYPOI-CYBMUJFWSA-N
MW330.41 g/mol
LogP2.90
Rot. Bonds4

About (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate

(2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate (PubChem CID 95615350) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
PubChem CID95615350
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
SMILESCCc1nc(COC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cs1
InChIInChI=1S/C17H18N2O3S/c1-3-15-18-11(10-23-15)9-22-17(21)13-8-16(20)19(2)14-7-5-4-6-12(13)14/h4-7,10,13H,3,8-9H2,1-2H3/t13-/m1/s1
InChIKeyXSKAGJDFZZYPOI-CYBMUJFWSA-N
XLogP2.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate with MolForge

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Related Compounds

(4S)-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 99929525
(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate
CID 86919782
(2-ethyl-1,3-thiazol-4-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 35622961
[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] (4S)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate
CID 95622544
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 35603787
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate
CID 86831853
(2-ethyl-1,3-thiazol-4-yl)methyl (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55942122
N-(2-carbamoylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703065
(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate
CID 60541301
(2-ethyl-1,3-thiazol-4-yl)methyl 3,3-dimethylbutanoate
CID 78842414
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
N-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110702966

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate (CID 95615350) is (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate is CCc1nc(COC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
The InChIKey is XSKAGJDFZZYPOI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-15-18-11(10-23-15)9-22-17(21)13-8-16(20)19(2)14-7-5-4-6-12(13)14/h4-7,10,13H,3,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate?
(2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl (4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 95615350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).