2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid

C17H14N2O3 — CID 155533770

IUPAC2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2cccnc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C17H14N2O3/c20-16-14(17(21)22)11-13-7-4-9-18-15(13)19(16)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,21,22)
InChIKeyHOFFBNJHZXIWGK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.34
Rot. Bonds4

About 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid

2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 155533770) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID155533770
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2cccnc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C17H14N2O3/c20-16-14(17(21)22)11-13-7-4-9-18-15(13)19(16)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,21,22)
InChIKeyHOFFBNJHZXIWGK-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid (CID 155533770) is 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cc2cccnc2n(CCc2ccccc2)c1=O.
What is the InChIKey of 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is HOFFBNJHZXIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16-14(17(21)22)11-13-7-4-9-18-15(13)19(16)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,21,22).
What are the key properties of 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid?
2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-phenylethyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 155533770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).