4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine

C14H10ClIN4 — CID 107634128

IUPAC4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Cl)cc3I)c2c1
InChIInChI=1S/C14H10ClIN4/c15-8-1-3-13(11(16)5-8)20-14-10-6-9(17)2-4-12(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyQBHUXXCARMTYRN-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.21
Rot. Bonds2

About 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine

4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine (PubChem CID 107634128) has the molecular formula C14H10ClIN4 and a molecular weight of 396.62 g/mol. Its IUPAC name is 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
PubChem CID107634128
Molecular FormulaC14H10ClIN4
Molecular Weight396.62 g/mol
Exact Mass395.96
IUPAC Name4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Cl)cc3I)c2c1
InChIInChI=1S/C14H10ClIN4/c15-8-1-3-13(11(16)5-8)20-14-10-6-9(17)2-4-12(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyQBHUXXCARMTYRN-UHFFFAOYSA-N
XLogP4.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.21
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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Related Compounds

4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
5-chloro-4-N-(4-chloro-2-iodophenyl)pyrimidine-4,6-diamine
CID 114049909
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
4-N-(4-chloro-2-iodophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107639119
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
CID 107634143
1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine (CID 107634128) is 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(Cl)cc3I)c2c1.
What is the InChIKey of 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine?
The InChIKey is QBHUXXCARMTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN4/c15-8-1-3-13(11(16)5-8)20-14-10-6-9(17)2-4-12(10)18-7-19-14/h1-7H,17H2,(H,18,19,20).
What are the key properties of 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine?
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine has a molecular weight of 396.62 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 107634128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).