7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione

C13H15N3O3 — CID 117262818

IUPAC7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCNC2)c(=O)c2ccc(O)cc21
InChIInChI=1S/C13H15N3O3/c1-15-11-6-9(17)2-3-10(11)12(18)16(13(15)19)8-4-5-14-7-8/h2-3,6,8,14,17H,4-5,7H2,1H3
InChIKeyAYMDIFRHTJJXPZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.06
Rot. Bonds1

About 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione

7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione (PubChem CID 117262818) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
PubChem CID117262818
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCNC2)c(=O)c2ccc(O)cc21
InChIInChI=1S/C13H15N3O3/c1-15-11-6-9(17)2-3-10(11)12(18)16(13(15)19)8-4-5-14-7-8/h2-3,6,8,14,17H,4-5,7H2,1H3
InChIKeyAYMDIFRHTJJXPZ-UHFFFAOYSA-N
XLogP-0.06
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The IUPAC name of 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione (CID 117262818) is 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione.
What is the SMILES notation for 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The canonical SMILES for 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione is Cn1c(=O)n(C2CCNC2)c(=O)c2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
The InChIKey is AYMDIFRHTJJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-11-6-9(17)2-3-10(11)12(18)16(13(15)19)8-4-5-14-7-8/h2-3,6,8,14,17H,4-5,7H2,1H3.
What are the key properties of 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione?
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione is sourced from PubChem (CID 117262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).