4-(3-iodoanilino)quinoline-3-carboxylic acid

C16H11IN2O2 — CID 63538814

IUPAC4-(3-iodoanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1cccc(I)c1
InChIInChI=1S/C16H11IN2O2/c17-10-4-3-5-11(8-10)19-15-12-6-1-2-7-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyXSQQOCPVAGJUAE-UHFFFAOYSA-N
MW390.18 g/mol
LogP4.28
Rot. Bonds3

About 4-(3-iodoanilino)quinoline-3-carboxylic acid

4-(3-iodoanilino)quinoline-3-carboxylic acid (PubChem CID 63538814) has the molecular formula C16H11IN2O2 and a molecular weight of 390.18 g/mol. Its IUPAC name is 4-(3-iodoanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-iodoanilino)quinoline-3-carboxylic acid
PubChem CID63538814
Molecular FormulaC16H11IN2O2
Molecular Weight390.18 g/mol
Exact Mass389.99
IUPAC Name4-(3-iodoanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1cccc(I)c1
InChIInChI=1S/C16H11IN2O2/c17-10-4-3-5-11(8-10)19-15-12-6-1-2-7-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyXSQQOCPVAGJUAE-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 4-(3-iodoanilino)quinoline-3-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

4-(3-bromoanilino)quinoline-3-carboxylic acid
CID 22466647
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
4-(3-bromoanilino)quinoline-3-carbothioamide
CID 43669593
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodoanilino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(3-iodoanilino)quinoline-3-carboxylic acid (CID 63538814) is 4-(3-iodoanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3-iodoanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(3-iodoanilino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1Nc1cccc(I)c1.
What is the InChIKey of 4-(3-iodoanilino)quinoline-3-carboxylic acid?
The InChIKey is XSQQOCPVAGJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O2/c17-10-4-3-5-11(8-10)19-15-12-6-1-2-7-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 4-(3-iodoanilino)quinoline-3-carboxylic acid?
4-(3-iodoanilino)quinoline-3-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 4-(3-iodoanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 63538814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).