1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid

C10H10NO3+ — CID 59897666

IUPAC1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid
SMILESO=C(O)C1=CC=[N+](O)C2C=CC=CC12
InChIInChI=1S/C10H9NO3/c12-10(13)8-5-6-11(14)9-4-2-1-3-7(8)9/h1-7,9H,(H-,12,13,14)/p+1
InChIKeyBWUSVXJXJWSOFI-UHFFFAOYSA-O
MW192.19 g/mol
LogP0.59
Rot. Bonds1

About 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid

1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid (PubChem CID 59897666) has the molecular formula C10H10NO3+ and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid
PubChem CID59897666
Molecular FormulaC10H10NO3+
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid
SMILESO=C(O)C1=CC=[N+](O)C2C=CC=CC12
InChIInChI=1S/C10H9NO3/c12-10(13)8-5-6-11(14)9-4-2-1-3-7(8)9/h1-7,9H,(H-,12,13,14)/p+1
InChIKeyBWUSVXJXJWSOFI-UHFFFAOYSA-O
XLogP0.59
TPSA60.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-hydroxy-4a,8a-dihydroquinolin-1-ium-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

3,8a-Dihydroquinoline-5-carboxylic acid
CID 123862285
(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid
CID 129017178
1-oxo-8aH-isoquinoline-8-carboxylic acid
CID 76845021

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid?
The IUPAC name of 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid (CID 59897666) is 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid?
The canonical SMILES for 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid is O=C(O)C1=CC=[N+](O)C2C=CC=CC12.
What is the InChIKey of 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid?
The InChIKey is BWUSVXJXJWSOFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9NO3/c12-10(13)8-5-6-11(14)9-4-2-1-3-7(8)9/h1-7,9H,(H-,12,13,14)/p+1.
What are the key properties of 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid?
1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid has a molecular weight of 192.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid is sourced from PubChem (CID 59897666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).