2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid

C17H13FN2O2 — CID 147944302

IUPAC2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2cccc3cccnc23)cc1F
InChIInChI=1S/C17H13FN2O2/c18-15-9-13(6-7-14(15)17(21)22)20-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9,20H,10H2,(H,21,22)
InChIKeyIMIZZKCYBNMMDD-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.68
Rot. Bonds4

About 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid

2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid (PubChem CID 147944302) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
PubChem CID147944302
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCc2cccc3cccnc23)cc1F
InChIInChI=1S/C17H13FN2O2/c18-15-9-13(6-7-14(15)17(21)22)20-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9,20H,10H2,(H,21,22)
InChIKeyIMIZZKCYBNMMDD-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3-(quinolin-8-ylmethylamino)pyridazine-4-carboxylic acid
CID 81435692
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-[(4-chloro-3-fluoroanilino)methyl]pyridine-3-carboxylic acid
CID 114198674
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
CID 81426601
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid (CID 147944302) is 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid is O=C(O)c1ccc(NCc2cccc3cccnc23)cc1F.
What is the InChIKey of 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid?
The InChIKey is IMIZZKCYBNMMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-9-13(6-7-14(15)17(21)22)20-10-12-4-1-3-11-5-2-8-19-16(11)12/h1-9,20H,10H2,(H,21,22).
What are the key properties of 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid?
2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid is sourced from PubChem (CID 147944302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).