4-(quinolin-8-ylmethylamino)benzoic acid

C17H14N2O2 — CID 43321603

IUPAC4-(quinolin-8-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2cccc3cccnc23)cc1
InChIInChI=1S/C17H14N2O2/c20-17(21)13-6-8-15(9-7-13)19-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-10,19H,11H2,(H,20,21)
InChIKeyVRLXONVKFFROGM-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds4

About 4-(quinolin-8-ylmethylamino)benzoic acid

4-(quinolin-8-ylmethylamino)benzoic acid (PubChem CID 43321603) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(quinolin-8-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-(quinolin-8-ylmethylamino)benzoic acid
PubChem CID43321603
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(quinolin-8-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2cccc3cccnc23)cc1
InChIInChI=1S/C17H14N2O2/c20-17(21)13-6-8-15(9-7-13)19-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-10,19H,11H2,(H,20,21)
InChIKeyVRLXONVKFFROGM-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

N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
CID 147944302
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
CID 97221268
3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid
CID 81435692
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
CID 144700024
CID 144700024
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-ylmethylamino)benzoic acid?
The IUPAC name of 4-(quinolin-8-ylmethylamino)benzoic acid (CID 43321603) is 4-(quinolin-8-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-(quinolin-8-ylmethylamino)benzoic acid?
The canonical SMILES for 4-(quinolin-8-ylmethylamino)benzoic acid is O=C(O)c1ccc(NCc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(quinolin-8-ylmethylamino)benzoic acid?
The InChIKey is VRLXONVKFFROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)13-6-8-15(9-7-13)19-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-10,19H,11H2,(H,20,21).
What are the key properties of 4-(quinolin-8-ylmethylamino)benzoic acid?
4-(quinolin-8-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 4-(quinolin-8-ylmethylamino)benzoic acid is sourced from PubChem (CID 43321603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).