5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid

C19H18N2O5 — CID 54728926

IUPAC5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid
SMILESCCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)O)c2)c1=O
InChIInChI=1S/C19H18N2O5/c1-2-3-5-13-16(23)12-6-4-9-20-17(12)21(18(13)24)11-7-8-15(22)14(10-11)19(25)26/h4,6-10,22-23H,2-3,5H2,1H3,(H,25,26)
InChIKeyTXUMUPMKPGNGBR-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.84
Rot. Bonds5

About 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid

5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid (PubChem CID 54728926) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid
PubChem CID54728926
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid
SMILESCCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)O)c2)c1=O
InChIInChI=1S/C19H18N2O5/c1-2-3-5-13-16(23)12-6-4-9-20-17(12)21(18(13)24)11-7-8-15(22)14(10-11)19(25)26/h4,6-10,22-23H,2-3,5H2,1H3,(H,25,26)
InChIKeyTXUMUPMKPGNGBR-UHFFFAOYSA-N
XLogP2.84
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid (CID 54728926) is 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid is CCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)O)c2)c1=O.
What is the InChIKey of 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid?
The InChIKey is TXUMUPMKPGNGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-3-5-13-16(23)12-6-4-9-20-17(12)21(18(13)24)11-7-8-15(22)14(10-11)19(25)26/h4,6-10,22-23H,2-3,5H2,1H3,(H,25,26).
What are the key properties of 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid?
5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid has a molecular weight of 354.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 54728926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).