6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

C20H19N3O3S — CID 126587336

IUPAC6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(OCc4nccs4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C20H19N3O3S/c1-12-7-15(10-23(2)20(12)25)14-8-13-3-4-17(24)22-19(13)16(9-14)26-11-18-21-5-6-27-18/h5-10H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyFDGPBBNNDBNVIK-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds4

About 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587336) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587336
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(OCc4nccs4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C20H19N3O3S/c1-12-7-15(10-23(2)20(12)25)14-8-13-3-4-17(24)22-19(13)16(9-14)26-11-18-21-5-6-27-18/h5-10H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyFDGPBBNNDBNVIK-UHFFFAOYSA-N
XLogP3.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 126587336) is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2cc3c(c(OCc4nccs4)c2)NC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FDGPBBNNDBNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-7-15(10-23(2)20(12)25)14-8-13-3-4-17(24)22-19(13)16(9-14)26-11-18-21-5-6-27-18/h5-10H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 381.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(1,3-thiazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).