N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide

C12H13N3O4 — CID 145330971

IUPACN-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)[nH]c2cccc(O)c2c1=O
InChIInChI=1S/C12H13N3O4/c1-7(16)13-5-6-15-11(18)10-8(14-12(15)19)3-2-4-9(10)17/h2-4,17H,5-6H2,1H3,(H,13,16)(H,14,19)
InChIKeyMPJOZBWGPHGIQM-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.47
Rot. Bonds3

About N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide

N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide (PubChem CID 145330971) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide
PubChem CID145330971
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)[nH]c2cccc(O)c2c1=O
InChIInChI=1S/C12H13N3O4/c1-7(16)13-5-6-15-11(18)10-8(14-12(15)19)3-2-4-9(10)17/h2-4,17H,5-6H2,1H3,(H,13,16)(H,14,19)
InChIKeyMPJOZBWGPHGIQM-UHFFFAOYSA-N
XLogP-0.47
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-propyl-1H-quinazoline-2,4-dione
CID 117261036
5-fluoro-3-propyl-1H-quinazoline-2,4-dione
CID 117261040
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
1-(2-acetamidoethyl)-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
CID 43552815
3-butyl-2,4-dioxo-1H-quinazoline-5-sulfonic acid
CID 22642117
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
5-nitro-3-propyl-1H-quinazoline-2,4-dione
CID 125491506
N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide
CID 167882426
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide (CID 145330971) is N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide is CC(=O)NCCn1c(=O)[nH]c2cccc(O)c2c1=O.
What is the InChIKey of N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide?
The InChIKey is MPJOZBWGPHGIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7(16)13-5-6-15-11(18)10-8(14-12(15)19)3-2-4-9(10)17/h2-4,17H,5-6H2,1H3,(H,13,16)(H,14,19).
What are the key properties of N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide?
N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide has a molecular weight of 263.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 145330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).