2-amino-6-iodo-3-phenylquinoline-4-carbonitrile

C16H10IN3 — CID 66800927

IUPAC2-amino-6-iodo-3-phenylquinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(N)nc2ccc(I)cc12
InChIInChI=1S/C16H10IN3/c17-11-6-7-14-12(8-11)13(9-18)15(16(19)20-14)10-4-2-1-3-5-10/h1-8H,(H2,19,20)
InChIKeyBKGSYTRJSJCATI-UHFFFAOYSA-N
MW371.18 g/mol
LogP3.96
Rot. Bonds1

About 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile

2-amino-6-iodo-3-phenylquinoline-4-carbonitrile (PubChem CID 66800927) has the molecular formula C16H10IN3 and a molecular weight of 371.18 g/mol. Its IUPAC name is 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-amino-6-iodo-3-phenylquinoline-4-carbonitrile
PubChem CID66800927
Molecular FormulaC16H10IN3
Molecular Weight371.18 g/mol
Exact Mass370.99
IUPAC Name2-amino-6-iodo-3-phenylquinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(N)nc2ccc(I)cc12
InChIInChI=1S/C16H10IN3/c17-11-6-7-14-12(8-11)13(9-18)15(16(19)20-14)10-4-2-1-3-5-10/h1-8H,(H2,19,20)
InChIKeyBKGSYTRJSJCATI-UHFFFAOYSA-N
XLogP3.96
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile?
The IUPAC name of 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile (CID 66800927) is 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile.
What is the SMILES notation for 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile?
The canonical SMILES for 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile is N#Cc1c(-c2ccccc2)c(N)nc2ccc(I)cc12.
What is the InChIKey of 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile?
The InChIKey is BKGSYTRJSJCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IN3/c17-11-6-7-14-12(8-11)13(9-18)15(16(19)20-14)10-4-2-1-3-5-10/h1-8H,(H2,19,20).
What are the key properties of 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile?
2-amino-6-iodo-3-phenylquinoline-4-carbonitrile has a molecular weight of 371.18 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-iodo-3-phenylquinoline-4-carbonitrile is sourced from PubChem (CID 66800927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).