3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid

C22H16N2O2 — CID 133107895

IUPAC3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nc2cnccc2c1C(=O)O
InChIInChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)
InChIKeyQTJZVPVLAFKPGP-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.97
Rot. Bonds3

About 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid

3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid (PubChem CID 133107895) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid
PubChem CID133107895
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nc2cnccc2c1C(=O)O
InChIInChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)
InChIKeyQTJZVPVLAFKPGP-UHFFFAOYSA-N
XLogP4.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid (CID 133107895) is 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid is Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cnccc2c1C(=O)O.
What is the InChIKey of 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid?
The InChIKey is QTJZVPVLAFKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26).
What are the key properties of 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid?
3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-phenylphenyl)-1,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 133107895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).