2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide

C16H19IN4O — CID 166358828

IUPAC2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide
SMILESCC1(C)CC(CC(N)=O)N(c2ncnc3ccc(I)cc23)C1
InChIInChI=1S/C16H19IN4O/c1-16(2)7-11(6-14(18)22)21(8-16)15-12-5-10(17)3-4-13(12)19-9-20-15/h3-5,9,11H,6-8H2,1-2H3,(H2,18,22)
InChIKeyRWKMBQSLXPSOJY-UHFFFAOYSA-N
MW410.26 g/mol
LogP2.71
Rot. Bonds3

About 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide

2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide (PubChem CID 166358828) has the molecular formula C16H19IN4O and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide
PubChem CID166358828
Molecular FormulaC16H19IN4O
Molecular Weight410.26 g/mol
Exact Mass410.06
IUPAC Name2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide
SMILESCC1(C)CC(CC(N)=O)N(c2ncnc3ccc(I)cc23)C1
InChIInChI=1S/C16H19IN4O/c1-16(2)7-11(6-14(18)22)21(8-16)15-12-5-10(17)3-4-13(12)19-9-20-15/h3-5,9,11H,6-8H2,1-2H3,(H2,18,22)
InChIKeyRWKMBQSLXPSOJY-UHFFFAOYSA-N
XLogP2.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 52.71
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 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide (CID 166358828) is 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide is CC1(C)CC(CC(N)=O)N(c2ncnc3ccc(I)cc23)C1.
What is the InChIKey of 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide?
The InChIKey is RWKMBQSLXPSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN4O/c1-16(2)7-11(6-14(18)22)21(8-16)15-12-5-10(17)3-4-13(12)19-9-20-15/h3-5,9,11H,6-8H2,1-2H3,(H2,18,22).
What are the key properties of 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide?
2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide has a molecular weight of 410.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-iodoquinazolin-4-yl)-4,4-dimethylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166358828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).