7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid

C10H8N2O3 — CID 138058829

IUPAC7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid
SMILESNC1=CC2C(=O)N=CC(C(=O)O)=C2C=C1
InChIInChI=1S/C10H8N2O3/c11-5-1-2-6-7(3-5)9(13)12-4-8(6)10(14)15/h1-4,7H,11H2,(H,14,15)
InChIKeyZZZOYBQGEQRINJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.01
Rot. Bonds1

About 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid

7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid (PubChem CID 138058829) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid
PubChem CID138058829
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid
SMILESNC1=CC2C(=O)N=CC(C(=O)O)=C2C=C1
InChIInChI=1S/C10H8N2O3/c11-5-1-2-6-7(3-5)9(13)12-4-8(6)10(14)15/h1-4,7H,11H2,(H,14,15)
InChIKeyZZZOYBQGEQRINJ-UHFFFAOYSA-N
XLogP0.01
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic 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-amino-8aH-isoquinolin-1-one
CID 71651027
4-amino-6-methylcyclohexa-2,4-dien-1-one
CID 150471908
2-methylcyclobuta-1,3-diene-1-carboxylic acid
CID 91252808
6-amino-3a,7a-dihydro-1H-indole-3-carboxylic acid
CID 112712191
(8aS)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407549
5,5-diethyl-4-hydroxy-6-oxopyridine-3-carboxylic acid
CID 165444432
6-amino-3a,7a-dihydro-1H-indole-2-carboxylic acid
CID 112712195
5,7-dichloro-4-oxo-4aH-quinoline-3-carboxylic acid
CID 78205786
5-methylidene-4-oxopyridine-2-carboxylic acid;hydrobromide
CID 138058898
4-methyl-2-oxo-3H-pyridine-3-carboxylic acid
CID 85439143
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
5-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxylic acid
CID 178202153

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid?
The IUPAC name of 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid (CID 138058829) is 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid?
The canonical SMILES for 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid is NC1=CC2C(=O)N=CC(C(=O)O)=C2C=C1.
What is the InChIKey of 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid?
The InChIKey is ZZZOYBQGEQRINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-5-1-2-6-7(3-5)9(13)12-4-8(6)10(14)15/h1-4,7H,11H2,(H,14,15).
What are the key properties of 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid?
7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-oxo-8aH-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 138058829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).