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

C35H32BrN3O7 — CID 159929180

IUPAC6-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
SMILESCc1cc(-c2cc3c(c(OCc4ncco4)c2)CC(=O)CC3)cn(C)c1=O.O=C1CCc2cc(Br)cc(OCc3ncco3)c2C1
InChIInChI=1S/C21H20N2O4.C14H12BrNO3/c1-13-7-16(11-23(2)21(13)25)15-8-14-3-4-17(24)10-18(14)19(9-15)27-12-20-22-5-6-26-20;15-10-5-9-1-2-11(17)7-12(9)13(6-10)19-8-14-16-3-4-18-14/h5-9,11H,3-4,10,12H2,1-2H3;3-6H,1-2,7-8H2
InChIKeyNZKMHOTVPUKDRU-UHFFFAOYSA-N
MW686.56 g/mol
LogP6.06
Rot. Bonds7

About 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

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 (PubChem CID 159929180) has the molecular formula C35H32BrN3O7 and a molecular weight of 686.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159929180
Molecular FormulaC35H32BrN3O7
Molecular Weight686.56 g/mol
Exact Mass685.14
IUPAC Name6-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
SMILESCc1cc(-c2cc3c(c(OCc4ncco4)c2)CC(=O)CC3)cn(C)c1=O.O=C1CCc2cc(Br)cc(OCc3ncco3)c2C1
InChIInChI=1S/C21H20N2O4.C14H12BrNO3/c1-13-7-16(11-23(2)21(13)25)15-8-14-3-4-17(24)10-18(14)19(9-15)27-12-20-22-5-6-26-20;15-10-5-9-1-2-11(17)7-12(9)13(6-10)19-8-14-16-3-4-18-14/h5-9,11H,3-4,10,12H2,1-2H3;3-6H,1-2,7-8H2
InChIKeyNZKMHOTVPUKDRU-UHFFFAOYSA-N
XLogP6.06
TPSA126.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 148625500
6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(oxan-3-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 158682903
6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 126587528
5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 158074275
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
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 158612443
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
5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 152809643
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
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc3c(c(OCc4ncco4)c2)CC(=O)CC3)cn(C)c1=O.O=C1CCc2cc(Br)cc(OCc3ncco3)c2C1.
What is the InChIKey of 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?
The InChIKey is NZKMHOTVPUKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4.C14H12BrNO3/c1-13-7-16(11-23(2)21(13)25)15-8-14-3-4-17(24)10-18(14)19(9-15)27-12-20-22-5-6-26-20;15-10-5-9-1-2-11(17)7-12(9)13(6-10)19-8-14-16-3-4-18-14/h5-9,11H,3-4,10,12H2,1-2H3;3-6H,1-2,7-8H2.
What are the key properties of 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?
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 has a molecular weight of 686.56 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159929180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).