N-(4-anilinoquinazolin-2-yl)acetamide

C16H14N4O — CID 69107194

IUPACN-(4-anilinoquinazolin-2-yl)acetamide
SMILESCC(=O)Nc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H14N4O/c1-11(21)17-16-19-14-10-6-5-9-13(14)15(20-16)18-12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeySEIBYBSAWLBFKD-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.33
Rot. Bonds3

About N-(4-anilinoquinazolin-2-yl)acetamide

N-(4-anilinoquinazolin-2-yl)acetamide (PubChem CID 69107194) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(4-anilinoquinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-anilinoquinazolin-2-yl)acetamide
PubChem CID69107194
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-(4-anilinoquinazolin-2-yl)acetamide
SMILESCC(=O)Nc1nc(Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H14N4O/c1-11(21)17-16-19-14-10-6-5-9-13(14)15(20-16)18-12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeySEIBYBSAWLBFKD-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinoquinazolin-2-yl)acetamide?
The IUPAC name of N-(4-anilinoquinazolin-2-yl)acetamide (CID 69107194) is N-(4-anilinoquinazolin-2-yl)acetamide.
What is the SMILES notation for N-(4-anilinoquinazolin-2-yl)acetamide?
The canonical SMILES for N-(4-anilinoquinazolin-2-yl)acetamide is CC(=O)Nc1nc(Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-(4-anilinoquinazolin-2-yl)acetamide?
The InChIKey is SEIBYBSAWLBFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(21)17-16-19-14-10-6-5-9-13(14)15(20-16)18-12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19,20,21).
What are the key properties of N-(4-anilinoquinazolin-2-yl)acetamide?
N-(4-anilinoquinazolin-2-yl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinoquinazolin-2-yl)acetamide is sourced from PubChem (CID 69107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).