2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid

C17H14N2O3 — CID 123155034

IUPAC2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccccc1C(O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N2O3/c20-16(12-7-1-2-8-13(12)17(21)22)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10,16,19-20H,(H,21,22)
InChIKeyGMIOKBDMFZTQKC-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.04
Rot. Bonds4

About 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid

2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid (PubChem CID 123155034) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid.

Molecular Properties

Compound Name2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid
PubChem CID123155034
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccccc1C(O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N2O3/c20-16(12-7-1-2-8-13(12)17(21)22)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10,16,19-20H,(H,21,22)
InChIKeyGMIOKBDMFZTQKC-UHFFFAOYSA-N
XLogP3.04
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

palladium;quinoline-8-carboxylic acid
CID 174945118
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
3-nitro-2-(quinolin-8-ylamino)benzoic acid
CID 11001355
tris(2-carboxyphenolate);lanthanum(3+);1,10-phenanthroline
CID 139240156
6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid
CID 167911650
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
2-[hydroxy-[4-(hydroxymethyl)anilino]methyl]benzoic acid
CID 129069377
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid?
The IUPAC name of 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid (CID 123155034) is 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid.
What is the SMILES notation for 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid?
The canonical SMILES for 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid is O=C(O)c1ccccc1C(O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid?
The InChIKey is GMIOKBDMFZTQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(12-7-1-2-8-13(12)17(21)22)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10,16,19-20H,(H,21,22).
What are the key properties of 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid?
2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid is sourced from PubChem (CID 123155034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).