2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H14N4O3 — CID 3441163

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccn1
InChIInChI=1S/C16H14N4O3/c21-14(18-9-11-5-3-4-8-17-11)10-20-15(22)12-6-1-2-7-13(12)19-16(20)23/h1-8H,9-10H2,(H,18,21)(H,19,23)
InChIKeyGNZCTIFYQQBVMA-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.40
Rot. Bonds4

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 3441163) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID3441163
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccn1
InChIInChI=1S/C16H14N4O3/c21-14(18-9-11-5-3-4-8-17-11)10-20-15(22)12-6-1-2-7-13(12)19-16(20)23/h1-8H,9-10H2,(H,18,21)(H,19,23)
InChIKeyGNZCTIFYQQBVMA-UHFFFAOYSA-N
XLogP0.40
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 3441163) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccn1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GNZCTIFYQQBVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14(18-9-11-5-3-4-8-17-11)10-20-15(22)12-6-1-2-7-13(12)19-16(20)23/h1-8H,9-10H2,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 3441163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).