2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine

C10H9ClIN3O2 — CID 162761706

IUPAC2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine
SMILESCONc1nc(Cl)nc2cc(I)c(OC)cc12
InChIInChI=1S/C10H9ClIN3O2/c1-16-8-3-5-7(4-6(8)12)13-10(11)14-9(5)15-17-2/h3-4H,1-2H3,(H,13,14,15)
InChIKeyAWXJPNBXCBDLQG-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.87
Rot. Bonds3

About 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine

2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine (PubChem CID 162761706) has the molecular formula C10H9ClIN3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine
PubChem CID162761706
Molecular FormulaC10H9ClIN3O2
Molecular Weight365.56 g/mol
Exact Mass364.94
IUPAC Name2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine
SMILESCONc1nc(Cl)nc2cc(I)c(OC)cc12
InChIInChI=1S/C10H9ClIN3O2/c1-16-8-3-5-7(4-6(8)12)13-10(11)14-9(5)15-17-2/h3-4H,1-2H3,(H,13,14,15)
InChIKeyAWXJPNBXCBDLQG-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine (CID 162761706) is 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine is CONc1nc(Cl)nc2cc(I)c(OC)cc12.
What is the InChIKey of 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine?
The InChIKey is AWXJPNBXCBDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3O2/c1-16-8-3-5-7(4-6(8)12)13-10(11)14-9(5)15-17-2/h3-4H,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine?
2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine has a molecular weight of 365.56 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-iodo-N,6-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 162761706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).