4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one

C17H12N4O4 — CID 171984438

IUPAC4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cccnc2c(O)c1Cc1c(O)c2ncccc2[nH]c1=O
InChIInChI=1S/C17H12N4O4/c22-14-8(16(24)20-10-3-1-5-18-12(10)14)7-9-15(23)13-11(21-17(9)25)4-2-6-19-13/h1-6H,7H2,(H2,20,22,24)(H2,21,23,25)
InChIKeyFSMJROXJCXISNA-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.16
Rot. Bonds2

About 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one

4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 171984438) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one
PubChem CID171984438
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one
SMILESO=c1[nH]c2cccnc2c(O)c1Cc1c(O)c2ncccc2[nH]c1=O
InChIInChI=1S/C17H12N4O4/c22-14-8(16(24)20-10-3-1-5-18-12(10)14)7-9-15(23)13-11(21-17(9)25)4-2-6-19-13/h1-6H,7H2,(H2,20,22,24)(H2,21,23,25)
InChIKeyFSMJROXJCXISNA-UHFFFAOYSA-N
XLogP1.16
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
3-ethyl-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 137200582
1,5-dihydropyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 136995246
3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 84662505
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 154585320
N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 58024589
5H-pyrido[3,2-b]indol-8-ol
CID 10511693
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde
CID 87576364
ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine
CID 142876995
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
8-hydroxy-6H-1,6-naphthyridin-5-one
CID 57425179

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one (CID 171984438) is 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one is O=c1[nH]c2cccnc2c(O)c1Cc1c(O)c2ncccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is FSMJROXJCXISNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-14-8(16(24)20-10-3-1-5-18-12(10)14)7-9-15(23)13-11(21-17(9)25)4-2-6-19-13/h1-6H,7H2,(H2,20,22,24)(H2,21,23,25).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one?
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 336.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 171984438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).