2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide

C18H18N4O — CID 118704901

IUPAC2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(-c2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)16(23)11-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-10H,11H2,1-2H3,(H2,19,20,21)
InChIKeyIYSIGMIQNYJRNC-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide

2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide (PubChem CID 118704901) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide
PubChem CID118704901
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(-c2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)16(23)11-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-10H,11H2,1-2H3,(H2,19,20,21)
InChIKeyIYSIGMIQNYJRNC-UHFFFAOYSA-N
XLogP2.51
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide (CID 118704901) is 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(-c2nc(N)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide?
The InChIKey is IYSIGMIQNYJRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22(2)16(23)11-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-10H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide?
2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide has a molecular weight of 306.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoquinazolin-4-yl)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 118704901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).