7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H16N2O3 — CID 2137

IUPAC7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21
InChIInChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
InChIKeyWHHHJDGNBVQNAU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.71
Rot. Bonds4

About 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 2137) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID2137
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21
InChIInChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
InChIKeyWHHHJDGNBVQNAU-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 2137) is 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21.
What is the InChIKey of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WHHHJDGNBVQNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23).
What are the key properties of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 2137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).