N-(3-iodophenyl)quinazolin-4-amine

C14H10IN3 — CID 735126

IUPACN-(3-iodophenyl)quinazolin-4-amine
SMILESIc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10IN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
InChIKeyLCUWAJDEGKZDMI-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.98
Rot. Bonds2

About N-(3-iodophenyl)quinazolin-4-amine

N-(3-iodophenyl)quinazolin-4-amine (PubChem CID 735126) has the molecular formula C14H10IN3 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(3-iodophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)quinazolin-4-amine
PubChem CID735126
Molecular FormulaC14H10IN3
Molecular Weight347.16 g/mol
Exact Mass346.99
IUPAC NameN-(3-iodophenyl)quinazolin-4-amine
SMILESIc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10IN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
InChIKeyLCUWAJDEGKZDMI-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-iodophenyl)quinazolin-4-amine 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

CID 5011
CID 5011
CID 9210
CID 9210
CID 84759
CID 84759
CID 589288
CID 589288
CID 51037431
CID 51037431
CID 676352
CID 676352
CID 65087
CID 65087
CID 345657
CID 345657
CID 780643
CID 780643
CID 5328042
CID 5328042
CID 1560402
CID 1560402
CID 53325874
CID 53325874

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)quinazolin-4-amine?
The IUPAC name of N-(3-iodophenyl)quinazolin-4-amine (CID 735126) is N-(3-iodophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-iodophenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-iodophenyl)quinazolin-4-amine is Ic1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-iodophenyl)quinazolin-4-amine?
The InChIKey is LCUWAJDEGKZDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18).
What are the key properties of N-(3-iodophenyl)quinazolin-4-amine?
N-(3-iodophenyl)quinazolin-4-amine has a molecular weight of 347.16 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)quinazolin-4-amine is sourced from PubChem (CID 735126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).