2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid

C12H9FN2O3 — CID 82571590

IUPAC2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2ccc(F)cc12
InChIInChI=1S/C12H9FN2O3/c13-8-2-1-7-3-4-14-11(9(7)5-8)12(18)15-6-10(16)17/h1-5H,6H2,(H,15,18)(H,16,17)
InChIKeyDGSDHPTWQKFQKH-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.19
Rot. Bonds3

About 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid

2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid (PubChem CID 82571590) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
PubChem CID82571590
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2ccc(F)cc12
InChIInChI=1S/C12H9FN2O3/c13-8-2-1-7-3-4-14-11(9(7)5-8)12(18)15-6-10(16)17/h1-5H,6H2,(H,15,18)(H,16,17)
InChIKeyDGSDHPTWQKFQKH-UHFFFAOYSA-N
XLogP1.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoroisoquinoline-1-carboxamide
CID 82573928
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
3-(7-fluoroisoquinolin-1-yl)propanoic acid
CID 82577889
2-[[6-[4-(4-fluorophenoxy)phenoxy]-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid
CID 57423251
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772
2-[(5-chloroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571599
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
(E)-3-(7-fluoroisoquinolin-1-yl)prop-2-enoic acid
CID 82580117
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-hydroxy-7-methylisoquinoline-1-carboxamide
CID 82574344

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid (CID 82571590) is 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nccc2ccc(F)cc12.
What is the InChIKey of 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid?
The InChIKey is DGSDHPTWQKFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-8-2-1-7-3-4-14-11(9(7)5-8)12(18)15-6-10(16)17/h1-5H,6H2,(H,15,18)(H,16,17).
What are the key properties of 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid?
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid has a molecular weight of 248.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 82571590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).