2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid

C23H18N2O3 — CID 19890848

IUPAC2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ncccc2n1
InChIInChI=1S/C23H18N2O3/c1-15-13-21(22-20(25-15)7-4-12-24-22)28-14-16-8-10-17(11-9-16)18-5-2-3-6-19(18)23(26)27/h2-13H,14H2,1H3,(H,26,27)
InChIKeyHFCJVDTZGDATRY-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.88
Rot. Bonds5

About 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid

2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid (PubChem CID 19890848) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid
PubChem CID19890848
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ncccc2n1
InChIInChI=1S/C23H18N2O3/c1-15-13-21(22-20(25-15)7-4-12-24-22)28-14-16-8-10-17(11-9-16)18-5-2-3-6-19(18)23(26)27/h2-13H,14H2,1H3,(H,26,27)
InChIKeyHFCJVDTZGDATRY-UHFFFAOYSA-N
XLogP4.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[8-(3-Methoxy-phenyl)-[1,7]naphthyridin-6-yl]-cyclohexanecarboxylic acid
CID 10270013
4''-(2-Methyl-quinolin-4-yloxymethyl)-biphenyl-2-carboxylic acid
CID 10453972
4'-[(2-Ethylquinolin-4-yloxy)methyl]biphenyl-2-carboxylic acid
CID 10475047
4'-[(2-Propylquinolin-4-yloxy)methyl]biphenyl-2-carboxylic acid
CID 11741515
5,5-dimethyl-4-(pyridin-4-yl)-3-(4-(quinolin-2-ylmethoxy)phenyl)furan-2(5H)-one
CID 44539913
Methyl 2-(2-quinoxalinyloxy)benzenecarboxylate
CID 3734302
2-[(E)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 6904677
5-(3-Methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57398529
8-[4-[2-[4-[3-(Azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-7-carboxylic acid
CID 134141385
2-[4-(2-Methoxy-3-pyridinyl)phenyl]quinoline-4-carboxylic acid
CID 145969345
Ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate
CID 162644787
Ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate
CID 162646577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid (CID 19890848) is 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid is Cc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ncccc2n1.
What is the InChIKey of 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
The InChIKey is HFCJVDTZGDATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-13-21(22-20(25-15)7-4-12-24-22)28-14-16-8-10-17(11-9-16)18-5-2-3-6-19(18)23(26)27/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid is sourced from PubChem (CID 19890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).