4-N-(4-iodophenyl)quinazoline-4,6-diamine

C14H11IN4 — CID 64588865

IUPAC4-N-(4-iodophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(I)cc3)c2c1
InChIInChI=1S/C14H11IN4/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyAQIYACMTQNTTNO-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.56
Rot. Bonds2

About 4-N-(4-iodophenyl)quinazoline-4,6-diamine

4-N-(4-iodophenyl)quinazoline-4,6-diamine (PubChem CID 64588865) has the molecular formula C14H11IN4 and a molecular weight of 362.17 g/mol. Its IUPAC name is 4-N-(4-iodophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-iodophenyl)quinazoline-4,6-diamine
PubChem CID64588865
Molecular FormulaC14H11IN4
Molecular Weight362.17 g/mol
Exact Mass362.00
IUPAC Name4-N-(4-iodophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(I)cc3)c2c1
InChIInChI=1S/C14H11IN4/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyAQIYACMTQNTTNO-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-iodophenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-iodophenyl)quinazoline-4,6-diamine (CID 64588865) is 4-N-(4-iodophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-iodophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-iodophenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(I)cc3)c2c1.
What is the InChIKey of 4-N-(4-iodophenyl)quinazoline-4,6-diamine?
The InChIKey is AQIYACMTQNTTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN4/c15-9-1-4-11(5-2-9)19-14-12-7-10(16)3-6-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19).
What are the key properties of 4-N-(4-iodophenyl)quinazoline-4,6-diamine?
4-N-(4-iodophenyl)quinazoline-4,6-diamine has a molecular weight of 362.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-iodophenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64588865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).