methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate

C10H10N2O3 — CID 69398457

IUPACmethyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NC(=O)CC2
InChIInChI=1S/C10H10N2O3/c1-15-10(14)7-4-2-6-3-5-8(13)12-9(6)11-7/h2,4H,3,5H2,1H3,(H,11,12,13)
InChIKeyWMDLOXSGMMHPTC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.75
Rot. Bonds1

About methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate

methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate (PubChem CID 69398457) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate
PubChem CID69398457
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NC(=O)CC2
InChIInChI=1S/C10H10N2O3/c1-15-10(14)7-4-2-6-3-5-8(13)12-9(6)11-7/h2,4H,3,5H2,1H3,(H,11,12,13)
InChIKeyWMDLOXSGMMHPTC-UHFFFAOYSA-N
XLogP0.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate?
The IUPAC name of methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate (CID 69398457) is methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate is COC(=O)c1ccc2c(n1)NC(=O)CC2.
What is the InChIKey of methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate?
The InChIKey is WMDLOXSGMMHPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-10(14)7-4-2-6-3-5-8(13)12-9(6)11-7/h2,4H,3,5H2,1H3,(H,11,12,13).
What are the key properties of methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate?
methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 69398457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).