3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid

C22H14N2O4 — CID 70698439

IUPAC3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3ccc(-c4cccc(C(=O)O)c4)nc3n2)c1
InChIInChI=1S/C22H14N2O4/c25-21(26)16-5-1-3-14(11-16)18-9-7-13-8-10-19(24-20(13)23-18)15-4-2-6-17(12-15)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyUBTRDNQZLLTGFN-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.36
Rot. Bonds4

About 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid

3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid (PubChem CID 70698439) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid
PubChem CID70698439
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3ccc(-c4cccc(C(=O)O)c4)nc3n2)c1
InChIInChI=1S/C22H14N2O4/c25-21(26)16-5-1-3-14(11-16)18-9-7-13-8-10-19(24-20(13)23-18)15-4-2-6-17(12-15)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyUBTRDNQZLLTGFN-UHFFFAOYSA-N
XLogP4.36
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1,8-naphthyridine-3-carboxylic acid
CID 2736908
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
CID 776448
4-((5-Allyl-6-methyl-2-phenylpyrimidin-4-yl)amino)benzoic acid
CID 826384
4-(6-Methyl-2-phenyl-5-propylpyrimidin-4-ylamino)benzoic acid
CID 54579989
4-(5-Ethyl-6-methyl-2-phenylpyrimidin-4-ylamino)benzoic acid
CID 54585882
4-(5-Allyl-6-methyl-2-m-tolylpyrimidin-4-ylamino)benzoic acid
CID 54586992
4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
2-(1,8-Naphthyridin-2-yl)benzoic acid
CID 2761117
4-(5-Allyl-6-ethyl-2-phenylpyrimidin-4-ylamino)benzoic acid
CID 54579990
4-(5,6-Dimethyl-2-phenylpyrimidin-4-ylamino)benzoic acid
CID 54583972
4-(5-Allyl-2-phenyl-6-propylpyrimidin-4-ylamino)benzoic acid
CID 54586013
4-[(2-Phenyl-4-quinazolinyl)amino]benzoic acid hydrochloride
CID 715632

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid?
The IUPAC name of 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid (CID 70698439) is 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid.
What is the SMILES notation for 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid?
The canonical SMILES for 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid is O=C(O)c1cccc(-c2ccc3ccc(-c4cccc(C(=O)O)c4)nc3n2)c1.
What is the InChIKey of 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid?
The InChIKey is UBTRDNQZLLTGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-21(26)16-5-1-3-14(11-16)18-9-7-13-8-10-19(24-20(13)23-18)15-4-2-6-17(12-15)22(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid?
3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid has a molecular weight of 370.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-carboxyphenyl)-1,8-naphthyridin-2-yl]benzoic acid is sourced from PubChem (CID 70698439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).