2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride

C14H15Cl2I2N5O — CID 19392217

IUPAC2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride
SMILESCOCCNc1nc(-n2ccnc2)nc2c(I)cc(I)cc12.Cl.Cl
InChIInChI=1S/C14H13I2N5O.2ClH/c1-22-5-3-18-13-10-6-9(15)7-11(16)12(10)19-14(20-13)21-4-2-17-8-21;;/h2,4,6-8H,3,5H2,1H3,(H,18,19,20);2*1H
InChIKeyUTGYVKZEOSPVPG-UHFFFAOYSA-N
MW594.02 g/mol
LogP3.93
Rot. Bonds5

About 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride

2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride (PubChem CID 19392217) has the molecular formula C14H15Cl2I2N5O and a molecular weight of 594.02 g/mol. Its IUPAC name is 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride
PubChem CID19392217
Molecular FormulaC14H15Cl2I2N5O
Molecular Weight594.02 g/mol
Exact Mass592.87
IUPAC Name2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride
SMILESCOCCNc1nc(-n2ccnc2)nc2c(I)cc(I)cc12.Cl.Cl
InChIInChI=1S/C14H13I2N5O.2ClH/c1-22-5-3-18-13-10-6-9(15)7-11(16)12(10)19-14(20-13)21-4-2-17-8-21;;/h2,4,6-8H,3,5H2,1H3,(H,18,19,20);2*1H
InChIKeyUTGYVKZEOSPVPG-UHFFFAOYSA-N
XLogP3.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.02
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 5328348
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CID 10266864
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CID 5328330
CID 5328330
CID 5328378
CID 5328378
CID 5328379
CID 5328379
CID 1563320
CID 1563320
CID 71203902
CID 71203902
CID 71543930
CID 71543930
CID 44344609
CID 44344609
CID 4884906
CID 4884906
CID 1563686
CID 1563686
CID 11404904
CID 11404904

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride?
The IUPAC name of 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride (CID 19392217) is 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride?
The canonical SMILES for 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride is COCCNc1nc(-n2ccnc2)nc2c(I)cc(I)cc12.Cl.Cl.
What is the InChIKey of 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride?
The InChIKey is UTGYVKZEOSPVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13I2N5O.2ClH/c1-22-5-3-18-13-10-6-9(15)7-11(16)12(10)19-14(20-13)21-4-2-17-8-21;;/h2,4,6-8H,3,5H2,1H3,(H,18,19,20);2*1H.
What are the key properties of 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride?
2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride has a molecular weight of 594.02 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 19392217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).