N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C14H13N3O3 — CID 2886431

IUPACN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C14H13N3O3/c1-8(18)16-14-15-7-10-11(17-14)5-9(6-12(10)19)13-3-2-4-20-13/h2-4,7,9H,5-6H2,1H3,(H,15,16,17,18)
InChIKeyMCGDILBNDMXNQR-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.94
Rot. Bonds2

About N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 2886431) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
PubChem CID2886431
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C14H13N3O3/c1-8(18)16-14-15-7-10-11(17-14)5-9(6-12(10)19)13-3-2-4-20-13/h2-4,7,9H,5-6H2,1H3,(H,15,16,17,18)
InChIKeyMCGDILBNDMXNQR-UHFFFAOYSA-N
XLogP1.94
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The IUPAC name of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 2886431) is N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The canonical SMILES for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is CC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O.
What is the InChIKey of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The InChIKey is MCGDILBNDMXNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8(18)16-14-15-7-10-11(17-14)5-9(6-12(10)19)13-3-2-4-20-13/h2-4,7,9H,5-6H2,1H3,(H,15,16,17,18).
What are the key properties of N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 2886431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).