N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine

C16H14IN3O — CID 80875106

IUPACN-ethyl-4-(4-iodophenoxy)quinazolin-2-amine
SMILESCCNc1nc(Oc2ccc(I)cc2)c2ccccc2n1
InChIInChI=1S/C16H14IN3O/c1-2-18-16-19-14-6-4-3-5-13(14)15(20-16)21-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyLONWAXLIIMSNGD-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.46
Rot. Bonds4

About N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine

N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine (PubChem CID 80875106) has the molecular formula C16H14IN3O and a molecular weight of 391.21 g/mol. Its IUPAC name is N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-iodophenoxy)quinazolin-2-amine
PubChem CID80875106
Molecular FormulaC16H14IN3O
Molecular Weight391.21 g/mol
Exact Mass391.02
IUPAC NameN-ethyl-4-(4-iodophenoxy)quinazolin-2-amine
SMILESCCNc1nc(Oc2ccc(I)cc2)c2ccccc2n1
InChIInChI=1S/C16H14IN3O/c1-2-18-16-19-14-6-4-3-5-13(14)15(20-16)21-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyLONWAXLIIMSNGD-UHFFFAOYSA-N
XLogP4.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine?
The IUPAC name of N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine (CID 80875106) is N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine is CCNc1nc(Oc2ccc(I)cc2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine?
The InChIKey is LONWAXLIIMSNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O/c1-2-18-16-19-14-6-4-3-5-13(14)15(20-16)21-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine?
N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine has a molecular weight of 391.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine is sourced from PubChem (CID 80875106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).