N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide

C15H17N3O3 — CID 155533320

IUPACN-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)n(C3CCCC3)c(=O)c2c1
InChIInChI=1S/C15H17N3O3/c1-9(19)16-10-6-7-13-12(8-10)14(20)18(15(21)17-13)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,16,19)(H,17,21)
InChIKeyMLBCSKDMTWDIGF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.76
Rot. Bonds2

About N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide

N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide (PubChem CID 155533320) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
PubChem CID155533320
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)n(C3CCCC3)c(=O)c2c1
InChIInChI=1S/C15H17N3O3/c1-9(19)16-10-6-7-13-12(8-10)14(20)18(15(21)17-13)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,16,19)(H,17,21)
InChIKeyMLBCSKDMTWDIGF-UHFFFAOYSA-N
XLogP1.76
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
CID 118576595
N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide
CID 58885028
N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 118586341
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide?
The IUPAC name of N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide (CID 155533320) is N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide.
What is the SMILES notation for N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide?
The canonical SMILES for N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide is CC(=O)Nc1ccc2[nH]c(=O)n(C3CCCC3)c(=O)c2c1.
What is the InChIKey of N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide?
The InChIKey is MLBCSKDMTWDIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(19)16-10-6-7-13-12(8-10)14(20)18(15(21)17-13)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,16,19)(H,17,21).
What are the key properties of N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide?
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide is sourced from PubChem (CID 155533320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).