2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C17H14N2O3 — CID 175115180

IUPAC2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCn1c(Cc2ccccc2)c(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C17H14N2O3/c1-19-13(10-11-6-3-2-4-7-11)14(17(21)22)15(20)12-8-5-9-18-16(12)19/h2-9H,10H2,1H3,(H,21,22)
InChIKeySPNKOGJEOAEKPU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.22
Rot. Bonds3

About 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 175115180) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID175115180
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCn1c(Cc2ccccc2)c(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C17H14N2O3/c1-19-13(10-11-6-3-2-4-7-11)14(17(21)22)15(20)12-8-5-9-18-16(12)19/h2-9H,10H2,1H3,(H,21,22)
InChIKeySPNKOGJEOAEKPU-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 175115180) is 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cn1c(Cc2ccccc2)c(C(=O)O)c(=O)c2cccnc21.
What is the InChIKey of 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SPNKOGJEOAEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-19-13(10-11-6-3-2-4-7-11)14(17(21)22)15(20)12-8-5-9-18-16(12)19/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175115180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).