2-(4-iodoanilino)quinoline-4-carboxylic acid

C16H11IN2O2 — CID 43154791

IUPAC2-(4-iodoanilino)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(I)cc2)nc2ccccc12
InChIInChI=1S/C16H11IN2O2/c17-10-5-7-11(8-6-10)18-15-9-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-9H,(H,18,19)(H,20,21)
InChIKeyPRWVNLXETVEKLJ-UHFFFAOYSA-N
MW390.18 g/mol
LogP4.28
Rot. Bonds3

About 2-(4-iodoanilino)quinoline-4-carboxylic acid

2-(4-iodoanilino)quinoline-4-carboxylic acid (PubChem CID 43154791) has the molecular formula C16H11IN2O2 and a molecular weight of 390.18 g/mol. Its IUPAC name is 2-(4-iodoanilino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-iodoanilino)quinoline-4-carboxylic acid
PubChem CID43154791
Molecular FormulaC16H11IN2O2
Molecular Weight390.18 g/mol
Exact Mass389.99
IUPAC Name2-(4-iodoanilino)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(I)cc2)nc2ccccc12
InChIInChI=1S/C16H11IN2O2/c17-10-5-7-11(8-6-10)18-15-9-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-9H,(H,18,19)(H,20,21)
InChIKeyPRWVNLXETVEKLJ-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.18
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-iodoanilino)quinoline-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

2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-[(4-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carboxylic acid
CID 43332285
[2-(3,4-dimethylanilino)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3295835
[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 5074067
6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
CID 13227966
N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
CID 117090375
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-iodoanilino)quinoline-4-carboxylic acid (CID 43154791) is 2-(4-iodoanilino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-iodoanilino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-iodoanilino)quinoline-4-carboxylic acid is O=C(O)c1cc(Nc2ccc(I)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-iodoanilino)quinoline-4-carboxylic acid?
The InChIKey is PRWVNLXETVEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O2/c17-10-5-7-11(8-6-10)18-15-9-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 2-(4-iodoanilino)quinoline-4-carboxylic acid?
2-(4-iodoanilino)quinoline-4-carboxylic acid has a molecular weight of 390.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)quinoline-4-carboxylic acid is sourced from PubChem (CID 43154791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).