1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one

C21H20N2O3S — CID 148625500

IUPAC1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(c(OCc4nccs4)c2)CC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C21H20N2O3S/c1-13-7-16(11-23(2)21(13)25)15-8-14-3-4-17(24)10-18(14)19(9-15)26-12-20-22-5-6-27-20/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyNHCRPOGQKDGZJW-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.45
Rot. Bonds4

About 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one

1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (PubChem CID 148625500) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
PubChem CID148625500
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(c(OCc4nccs4)c2)CC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C21H20N2O3S/c1-13-7-16(11-23(2)21(13)25)15-8-14-3-4-17(24)10-18(14)19(9-15)26-12-20-22-5-6-27-20/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyNHCRPOGQKDGZJW-UHFFFAOYSA-N
XLogP3.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(1,3-oxazol-2-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159929180
5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 158074275
1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 158612443
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one;1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methyl-3,4-dihydroquinolin-2-one
CID 157090170
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 126587528
2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
CID 103825960
7-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one;1,3-dimethyl-5-[6-oxo-4-(piperidin-1-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-4-(pyridin-3-ylamino)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-4-(pyridin-2-ylmethylamino)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 157433083
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (CID 148625500) is 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is Cc1cc(-c2cc3c(c(OCc4nccs4)c2)CC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The InChIKey is NHCRPOGQKDGZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-7-16(11-23(2)21(13)25)15-8-14-3-4-17(24)10-18(14)19(9-15)26-12-20-22-5-6-27-20/h5-9,11H,3-4,10,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one has a molecular weight of 380.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is sourced from PubChem (CID 148625500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).