5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione

C13H15N3O3 — CID 117262188

IUPAC5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(O)c2c(=O)n1CC1CCNC1
InChIInChI=1S/C13H15N3O3/c17-10-3-1-2-9-11(10)12(18)16(13(19)15-9)7-8-4-5-14-6-8/h1-3,8,14,17H,4-7H2,(H,15,19)
InChIKeyBUEWUZRZBGBFCX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.00
Rot. Bonds2

About 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione

5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione (PubChem CID 117262188) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
PubChem CID117262188
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(O)c2c(=O)n1CC1CCNC1
InChIInChI=1S/C13H15N3O3/c17-10-3-1-2-9-11(10)12(18)16(13(19)15-9)7-8-4-5-14-6-8/h1-3,8,14,17H,4-7H2,(H,15,19)
InChIKeyBUEWUZRZBGBFCX-UHFFFAOYSA-N
XLogP0.00
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 15585637
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
4-hydroxy-3-(thian-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208927
N-[2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)ethyl]acetamide
CID 145330971
4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol
CID 84795466
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117260961
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
5-amino-3-(2-cyclopropylethyl)-1H-quinazoline-2,4-dione
CID 90740804
3-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262139

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione (CID 117262188) is 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cccc(O)c2c(=O)n1CC1CCNC1.
What is the InChIKey of 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The InChIKey is BUEWUZRZBGBFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-10-3-1-2-9-11(10)12(18)16(13(19)15-9)7-8-4-5-14-6-8/h1-3,8,14,17H,4-7H2,(H,15,19).
What are the key properties of 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).