N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine

C16H14IN3O2 — CID 5328201

IUPACN-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
InChIInChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyFGCLAQLIXMAIHT-UHFFFAOYSA-N
MW407.21 g/mol
LogP4.00
Rot. Bonds4

About N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine

N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 5328201) has the molecular formula C16H14IN3O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID5328201
Molecular FormulaC16H14IN3O2
Molecular Weight407.21 g/mol
Exact Mass407.01
IUPAC NameN-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
InChIInChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyFGCLAQLIXMAIHT-UHFFFAOYSA-N
XLogP4.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 176870
CID 176870
CID 3081361
CID 3081361
CID 123631
CID 123631
CID 176871
CID 176871
CID 2051
CID 2051
CID 3038522
CID 3038522
CID 2472
CID 2472
CID 22024915
CID 22024915
CID 4705
CID 4705
CID 24756910
CID 24756910
CID 616267
CID 616267
CID 164089
CID 164089

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine (CID 5328201) is N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC.
What is the InChIKey of N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is FGCLAQLIXMAIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 407.21 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 5328201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).