2-(quinolin-6-ylmethylamino)benzoic acid

C17H14N2O2 — CID 63969915

IUPAC2-(quinolin-6-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccccc1NCc1ccc2ncccc2c1
InChIInChI=1S/C17H14N2O2/c20-17(21)14-5-1-2-6-16(14)19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-10,19H,11H2,(H,20,21)
InChIKeyKQYKFXXPMKVTDG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds4

About 2-(quinolin-6-ylmethylamino)benzoic acid

2-(quinolin-6-ylmethylamino)benzoic acid (PubChem CID 63969915) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(quinolin-6-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-(quinolin-6-ylmethylamino)benzoic acid
PubChem CID63969915
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(quinolin-6-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccccc1NCc1ccc2ncccc2c1
InChIInChI=1S/C17H14N2O2/c20-17(21)14-5-1-2-6-16(14)19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-10,19H,11H2,(H,20,21)
InChIKeyKQYKFXXPMKVTDG-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Floctafenine
CID 3360
Indole-3-Carboxylic Acid
CID 69867
Pf-05105679
CID 60195662
Carmoxirole
CID 57364
4-Quinolinecarboxylic acid
CID 10243
4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid
CID 445091
1H-Indole-7-carboxylic acid
CID 74281
Quinoline-3-carboxylic acid
CID 80971
2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
8-Quinolinecarboxylic acid
CID 66582
6-Quinolinecarboxylic acid
CID 82571

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-6-ylmethylamino)benzoic acid?
The IUPAC name of 2-(quinolin-6-ylmethylamino)benzoic acid (CID 63969915) is 2-(quinolin-6-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-(quinolin-6-ylmethylamino)benzoic acid?
The canonical SMILES for 2-(quinolin-6-ylmethylamino)benzoic acid is O=C(O)c1ccccc1NCc1ccc2ncccc2c1.
What is the InChIKey of 2-(quinolin-6-ylmethylamino)benzoic acid?
The InChIKey is KQYKFXXPMKVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)14-5-1-2-6-16(14)19-11-12-7-8-15-13(10-12)4-3-9-18-15/h1-10,19H,11H2,(H,20,21).
What are the key properties of 2-(quinolin-6-ylmethylamino)benzoic acid?
2-(quinolin-6-ylmethylamino)benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-6-ylmethylamino)benzoic acid is sourced from PubChem (CID 63969915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).