2-[(7-fluoroquinolin-4-yl)amino]acetic acid

C11H9FN2O2 — CID 83837512

IUPAC2-[(7-fluoroquinolin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1ccnc2cc(F)ccc12
InChIInChI=1S/C11H9FN2O2/c12-7-1-2-8-9(14-6-11(15)16)3-4-13-10(8)5-7/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeySHJBYSLXFVRYCR-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.87
Rot. Bonds3

About 2-[(7-fluoroquinolin-4-yl)amino]acetic acid

2-[(7-fluoroquinolin-4-yl)amino]acetic acid (PubChem CID 83837512) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[(7-fluoroquinolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoroquinolin-4-yl)amino]acetic acid
PubChem CID83837512
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[(7-fluoroquinolin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1ccnc2cc(F)ccc12
InChIInChI=1S/C11H9FN2O2/c12-7-1-2-8-9(14-6-11(15)16)3-4-13-10(8)5-7/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeySHJBYSLXFVRYCR-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 154834944
N-(2-cyclopropylethyl)-7-fluoroquinolin-4-amine
CID 133324339
7-fluoroquinoline-4-carboxylic acid
CID 18475507
2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
CID 54773018
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206
7-fluoro-N-(3-propan-2-yloxypropyl)quinolin-4-amine
CID 133381963
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-(carboxymethylamino)-4-fluorobenzoic acid
CID 19907325
2-(furo[2,3-b]pyridin-4-ylamino)acetic acid
CID 83829975
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoroquinolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(7-fluoroquinolin-4-yl)amino]acetic acid (CID 83837512) is 2-[(7-fluoroquinolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(7-fluoroquinolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(7-fluoroquinolin-4-yl)amino]acetic acid is O=C(O)CNc1ccnc2cc(F)ccc12.
What is the InChIKey of 2-[(7-fluoroquinolin-4-yl)amino]acetic acid?
The InChIKey is SHJBYSLXFVRYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-7-1-2-8-9(14-6-11(15)16)3-4-13-10(8)5-7/h1-5H,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(7-fluoroquinolin-4-yl)amino]acetic acid?
2-[(7-fluoroquinolin-4-yl)amino]acetic acid has a molecular weight of 220.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoroquinolin-4-yl)amino]acetic acid is sourced from PubChem (CID 83837512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).