3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one

C9H10N2O3 — CID 53414723

IUPAC3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
SMILESCOc1ccc2c(n1)CC(O)C(=O)N2
InChIInChI=1S/C9H10N2O3/c1-14-8-3-2-5-6(10-8)4-7(12)9(13)11-5/h2-3,7,12H,4H2,1H3,(H,11,13)
InChIKeyBJQCYBZKFBEGPO-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.05
Rot. Bonds1

About 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one

3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one (PubChem CID 53414723) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
PubChem CID53414723
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one
SMILESCOc1ccc2c(n1)CC(O)C(=O)N2
InChIInChI=1S/C9H10N2O3/c1-14-8-3-2-5-6(10-8)4-7(12)9(13)11-5/h2-3,7,12H,4H2,1H3,(H,11,13)
InChIKeyBJQCYBZKFBEGPO-UHFFFAOYSA-N
XLogP-0.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one (CID 53414723) is 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one is COc1ccc2c(n1)CC(O)C(=O)N2.
What is the InChIKey of 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one?
The InChIKey is BJQCYBZKFBEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-3-2-5-6(10-8)4-7(12)9(13)11-5/h2-3,7,12H,4H2,1H3,(H,11,13).
What are the key properties of 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one?
3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one has a molecular weight of 194.19 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxy-3,4-dihydro-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 53414723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).