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

C115H120N8O12 — CID 157325006

IUPAC1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(cc2CC2CCCCO2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2ccccn2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2cccnc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2ccncc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2CC2CCCCO2)CCC(=O)C3)cn(C)c1=O
InChIInChI=1S/3C23H22N2O2.2C23H27NO3/c1-15-9-20(14-25(2)23(15)27)22-13-17-3-4-21(26)12-18(17)11-19(22)10-16-5-7-24-8-6-16;1-15-8-20(14-25(2)23(15)27)22-12-17-5-6-21(26)11-18(17)10-19(22)9-16-4-3-7-24-13-16;1-15-9-19(14-25(2)23(15)27)22-13-16-6-7-21(26)12-17(16)10-18(22)11-20-5-3-4-8-24-20;1-15-11-17(14-24(2)23(15)26)21-8-6-16-12-18(25)7-9-20(16)22(21)13-19-5-3-4-10-27-19;1-15-9-19(14-24(2)23(15)26)22-13-16-6-7-20(25)11-17(16)10-18(22)12-21-5-3-4-8-27-21/h5-9,11,13-14H,3-4,10,12H2,1-2H3;3-4,7-8,10,12-14H,5-6,9,11H2,1-2H3;3-5,8-10,13-14H,6-7,11-12H2,1-2H3;6,8,11,14,19H,3-5,7,9-10,12-13H2,1-2H3;9-10,13-14,21H,3-8,11-12H2,1-2H3
InChIKeyBEPPAKRVLTUWHF-UHFFFAOYSA-N
MW1806.27 g/mol
LogP17.27
Rot. Bonds15

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

1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (PubChem CID 157325006) has the molecular formula C115H120N8O12 and a molecular weight of 1806.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
PubChem CID157325006
Molecular FormulaC115H120N8O12
Molecular Weight1806.27 g/mol
Exact Mass1804.90
IUPAC Name1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(cc2CC2CCCCO2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2ccccn2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2cccnc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2ccncc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2CC2CCCCO2)CCC(=O)C3)cn(C)c1=O
InChIInChI=1S/3C23H22N2O2.2C23H27NO3/c1-15-9-20(14-25(2)23(15)27)22-13-17-3-4-21(26)12-18(17)11-19(22)10-16-5-7-24-8-6-16;1-15-8-20(14-25(2)23(15)27)22-12-17-5-6-21(26)11-18(17)10-19(22)9-16-4-3-7-24-13-16;1-15-9-19(14-25(2)23(15)27)22-13-16-6-7-21(26)12-17(16)10-18(22)11-20-5-3-4-8-24-20;1-15-11-17(14-24(2)23(15)26)21-8-6-16-12-18(25)7-9-20(16)22(21)13-19-5-3-4-10-27-19;1-15-9-19(14-24(2)23(15)26)22-13-16-6-7-20(25)11-17(16)10-18(22)12-21-5-3-4-8-27-21/h5-9,11,13-14H,3-4,10,12H2,1-2H3;3-4,7-8,10,12-14H,5-6,9,11H2,1-2H3;3-5,8-10,13-14H,6-7,11-12H2,1-2H3;6,8,11,14,19H,3-5,7,9-10,12-13H2,1-2H3;9-10,13-14,21H,3-8,11-12H2,1-2H3
InChIKeyBEPPAKRVLTUWHF-UHFFFAOYSA-N
XLogP17.27
TPSA252.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.27
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (CID 157325006) is 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is Cc1cc(-c2cc3c(cc2CC2CCCCO2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2ccccn2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2cccnc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2cc3c(cc2Cc2ccncc2)CC(=O)CC3)cn(C)c1=O.Cc1cc(-c2ccc3c(c2CC2CCCCO2)CCC(=O)C3)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The InChIKey is BEPPAKRVLTUWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H22N2O2.2C23H27NO3/c1-15-9-20(14-25(2)23(15)27)22-13-17-3-4-21(26)12-18(17)11-19(22)10-16-5-7-24-8-6-16;1-15-8-20(14-25(2)23(15)27)22-12-17-5-6-21(26)11-18(17)10-19(22)9-16-4-3-7-24-13-16;1-15-9-19(14-25(2)23(15)27)22-13-16-6-7-21(26)12-17(16)10-18(22)11-20-5-3-4-8-24-20;1-15-11-17(14-24(2)23(15)26)21-8-6-16-12-18(25)7-9-20(16)22(21)13-19-5-3-4-10-27-19;1-15-9-19(14-24(2)23(15)26)22-13-16-6-7-20(25)11-17(16)10-18(22)12-21-5-3-4-8-27-21/h5-9,11,13-14H,3-4,10,12H2,1-2H3;3-4,7-8,10,12-14H,5-6,9,11H2,1-2H3;3-5,8-10,13-14H,6-7,11-12H2,1-2H3;6,8,11,14,19H,3-5,7,9-10,12-13H2,1-2H3;9-10,13-14,21H,3-8,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one has a molecular weight of 1806.27 g/mol, XLogP of 17.27, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[3-(oxan-2-ylmethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-2-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-3-(pyridin-4-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is sourced from PubChem (CID 157325006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).