N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide

C16H15N3O3 — CID 938749

IUPACN-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C16H15N3O3/c20-14-8-4-7-13-12(14)9-17-16(18-13)19-15(21)10-22-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18,19,21)
InChIKeyHTZCXYWVFPOGHC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.01
Rot. Bonds4

About N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide

N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide (PubChem CID 938749) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide
PubChem CID938749
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C16H15N3O3/c20-14-8-4-7-13-12(14)9-17-16(18-13)19-15(21)10-22-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18,19,21)
InChIKeyHTZCXYWVFPOGHC-UHFFFAOYSA-N
XLogP2.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide (CID 938749) is N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ncc2c(n1)CCCC2=O.
What is the InChIKey of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide?
The InChIKey is HTZCXYWVFPOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14-8-4-7-13-12(14)9-17-16(18-13)19-15(21)10-22-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18,19,21).
What are the key properties of N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide?
N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide has a molecular weight of 297.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 938749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).