1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

C12H16N2O3 — CID 147497447

IUPAC1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCOc1ccc2c(n1)CC(C)[C@H](O)N2C(C)=O
InChIInChI=1S/C12H16N2O3/c1-7-6-9-10(4-5-11(13-9)17-3)14(8(2)15)12(7)16/h4-5,7,12,16H,6H2,1-3H3/t7?,12-/m0/s1
InChIKeyFGTCPOLSYWAWFR-LRUBCLLZSA-N
MW236.27 g/mol
LogP0.95
Rot. Bonds1

About 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (PubChem CID 147497447) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
PubChem CID147497447
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCOc1ccc2c(n1)CC(C)[C@H](O)N2C(C)=O
InChIInChI=1S/C12H16N2O3/c1-7-6-9-10(4-5-11(13-9)17-3)14(8(2)15)12(7)16/h4-5,7,12,16H,6H2,1-3H3/t7?,12-/m0/s1
InChIKeyFGTCPOLSYWAWFR-LRUBCLLZSA-N
XLogP0.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (CID 147497447) is 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is COc1ccc2c(n1)CC(C)[C@H](O)N2C(C)=O.
What is the InChIKey of 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The InChIKey is FGTCPOLSYWAWFR-LRUBCLLZSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-6-9-10(4-5-11(13-9)17-3)14(8(2)15)12(7)16/h4-5,7,12,16H,6H2,1-3H3/t7?,12-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone has a molecular weight of 236.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 147497447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).