methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate

C20H16N4O8 — CID 91163034

IUPACmethyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(O)cnc2c1O.COC(=O)c1ncc2cc(O)cnc2c1O
InChIInChI=1S/2C10H8N2O4/c2*1-16-10(15)8-9(14)7-5(3-11-8)2-6(13)4-12-7/h2*2-4,13-14H,1H3
InChIKeySCNPWADOPUQMOG-UHFFFAOYSA-N
MW440.37 g/mol
LogP1.66
Rot. Bonds2

About methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate

methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 91163034) has the molecular formula C20H16N4O8 and a molecular weight of 440.37 g/mol. Its IUPAC name is methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID91163034
Molecular FormulaC20H16N4O8
Molecular Weight440.37 g/mol
Exact Mass440.10
IUPAC Namemethyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(O)cnc2c1O.COC(=O)c1ncc2cc(O)cnc2c1O
InChIInChI=1S/2C10H8N2O4/c2*1-16-10(15)8-9(14)7-5(3-11-8)2-6(13)4-12-7/h2*2-4,13-14H,1H3
InChIKeySCNPWADOPUQMOG-UHFFFAOYSA-N
XLogP1.66
TPSA185.08 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

8-hydroxy-1,6-Naphthyridine-7-carboxylic acid
CID 20816864
1-Methoxypropan-2-yl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 9976415
1-[3-[(4-Fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridin-7-yl]propan-1-one
CID 10018253
(1-Acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 10093767
3-(4-Fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid methyl ester
CID 10335671
Methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-7-(2-methoxyethylcarbamoyl)-1,6-naphthyridine-5-carboxylate
CID 11441337
3-[(4-Fluorophenyl)methyl]-5-(1-hydroxyethyl)-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
CID 23149768
3-[(4-Fluorophenyl)methyl]-8-hydroxy-5-(1-hydroxyethyl)-1,6-naphthyridine-7-carboxylic acid
CID 23149769
8-Benzyloxy-3-(4-fluorobenzyl)-5-iodo[1,6]naphthyridine-7-carboxylic acid
CID 23149774
3-[(4-Fluorophenyl)methyl]-8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxylic acid
CID 23149777
3-[(4-Fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 23149778
3-[(4-Fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
CID 23149785

Frequently Asked Questions

What is the IUPAC name of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate (CID 91163034) is methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate is COC(=O)c1ncc2cc(O)cnc2c1O.COC(=O)c1ncc2cc(O)cnc2c1O.
What is the InChIKey of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is SCNPWADOPUQMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2O4/c2*1-16-10(15)8-9(14)7-5(3-11-8)2-6(13)4-12-7/h2*2-4,13-14H,1H3.
What are the key properties of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 440.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 91163034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).