(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one

C17H15N3O2S — CID 136907573

IUPAC(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1ccc2cc([C@H]3CC(=O)Nc4snc(C)c43)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O2S/c1-8-3-4-10-6-12(16(22)18-13(10)5-8)11-7-14(21)19-17-15(11)9(2)20-23-17/h3-6,11H,7H2,1-2H3,(H,18,22)(H,19,21)/t11-/m1/s1
InChIKeyXSHVDSKJXWDKMY-LLVKDONJSA-N
MW325.39 g/mol
LogP3.08
Rot. Bonds1

About (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one

(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (PubChem CID 136907573) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
PubChem CID136907573
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1ccc2cc([C@H]3CC(=O)Nc4snc(C)c43)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O2S/c1-8-3-4-10-6-12(16(22)18-13(10)5-8)11-7-14(21)19-17-15(11)9(2)20-23-17/h3-6,11H,7H2,1-2H3,(H,18,22)(H,19,21)/t11-/m1/s1
InChIKeyXSHVDSKJXWDKMY-LLVKDONJSA-N
XLogP3.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 135988405
(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820684
(4S)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820809
3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one
CID 3095071
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
(4R)-4-(2-oxo-1H-quinolin-3-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390066
7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one
CID 95128460
(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125429718
(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424032
4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 7392414
5-(2,4-dimethylphenyl)-2-prop-2-enylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637721
(9S)-9-(2-oxo-1H-quinolin-3-yl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676667

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (CID 136907573) is (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is Cc1ccc2cc([C@H]3CC(=O)Nc4snc(C)c43)c(=O)[nH]c2c1.
What is the InChIKey of (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The InChIKey is XSHVDSKJXWDKMY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-8-3-4-10-6-12(16(22)18-13(10)5-8)11-7-14(21)19-17-15(11)9(2)20-23-17/h3-6,11H,7H2,1-2H3,(H,18,22)(H,19,21)/t11-/m1/s1.
What are the key properties of (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one has a molecular weight of 325.39 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136907573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).