3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

C15H17N3O4 — CID 138996391

IUPAC3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1CO
InChIInChI=1S/C15H17N3O4/c19-9-10-4-3-7-17(10)13(20)8-18-14(21)11-5-1-2-6-12(11)16-15(18)22/h1-2,5-6,10,19H,3-4,7-9H2,(H,16,22)/t10-/m0/s1
InChIKeyQQLZHSZDNBESAO-JTQLQIEISA-N
MW303.32 g/mol
LogP-0.33
Rot. Bonds3

About 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (PubChem CID 138996391) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
PubChem CID138996391
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1CO
InChIInChI=1S/C15H17N3O4/c19-9-10-4-3-7-17(10)13(20)8-18-14(21)11-5-1-2-6-12(11)16-15(18)22/h1-2,5-6,10,19H,3-4,7-9H2,(H,16,22)/t10-/m0/s1
InChIKeyQQLZHSZDNBESAO-JTQLQIEISA-N
XLogP-0.33
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119651055
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119651054
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 154737957
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119651884
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 120737659
3-[2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 96534375
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 56802473
N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide
CID 139011726

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione (CID 138996391) is 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1CO.
What is the InChIKey of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
The InChIKey is QQLZHSZDNBESAO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O4/c19-9-10-4-3-7-17(10)13(20)8-18-14(21)11-5-1-2-6-12(11)16-15(18)22/h1-2,5-6,10,19H,3-4,7-9H2,(H,16,22)/t10-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione?
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 138996391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).