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

C14H13N3O3 — CID 4273158

IUPACN-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C14H13N3O3/c1-9(18)16-17-13(12-7-4-8-20-12)15-11-6-3-2-5-10(11)14(17)19/h2-8,13,15H,1H3,(H,16,18)
InChIKeyNEIXJVKXKJQHIM-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.90
Rot. Bonds2

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

N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (PubChem CID 4273158) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
PubChem CID4273158
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C14H13N3O3/c1-9(18)16-17-13(12-7-4-8-20-12)15-11-6-3-2-5-10(11)14(17)19/h2-8,13,15H,1H3,(H,16,18)
InChIKeyNEIXJVKXKJQHIM-UHFFFAOYSA-N
XLogP1.90
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (CID 4273158) is N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is CC(=O)NN1C(=O)c2ccccc2NC1c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The InChIKey is NEIXJVKXKJQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(18)16-17-13(12-7-4-8-20-12)15-11-6-3-2-5-10(11)14(17)19/h2-8,13,15H,1H3,(H,16,18).
What are the key properties of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 4273158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).