2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide

C17H14N4O2 — CID 42942467

IUPAC2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
SMILESN#Cc1ccc(C2NC(=O)c3ccccc3N2CC(N)=O)cc1
InChIInChI=1S/C17H14N4O2/c18-9-11-5-7-12(8-6-11)16-20-17(23)13-3-1-2-4-14(13)21(16)10-15(19)22/h1-8,16H,10H2,(H2,19,22)(H,20,23)
InChIKeyAJMARSCMMMXDSG-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.29
Rot. Bonds3

About 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide

2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide (PubChem CID 42942467) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
PubChem CID42942467
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
SMILESN#Cc1ccc(C2NC(=O)c3ccccc3N2CC(N)=O)cc1
InChIInChI=1S/C17H14N4O2/c18-9-11-5-7-12(8-6-11)16-20-17(23)13-3-1-2-4-14(13)21(16)10-15(19)22/h1-8,16H,10H2,(H2,19,22)(H,20,23)
InChIKeyAJMARSCMMMXDSG-UHFFFAOYSA-N
XLogP1.29
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide (CID 42942467) is 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide is N#Cc1ccc(C2NC(=O)c3ccccc3N2CC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
The InChIKey is AJMARSCMMMXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-9-11-5-7-12(8-6-11)16-20-17(23)13-3-1-2-4-14(13)21(16)10-15(19)22/h1-8,16H,10H2,(H2,19,22)(H,20,23).
What are the key properties of 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide?
2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide is sourced from PubChem (CID 42942467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).