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

C13H15N3O2 — CID 117262207

IUPAC1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCCN2)c(=O)c2ccccc21
InChIInChI=1S/C13H15N3O2/c1-15-10-6-3-2-5-9(10)12(17)16(13(15)18)11-7-4-8-14-11/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeySCUPRBFORIBZPZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.58
Rot. Bonds1

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

1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione (PubChem CID 117262207) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
PubChem CID117262207
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
SMILESCn1c(=O)n(C2CCCN2)c(=O)c2ccccc21
InChIInChI=1S/C13H15N3O2/c1-15-10-6-3-2-5-9(10)12(17)16(13(15)18)11-7-4-8-14-11/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeySCUPRBFORIBZPZ-UHFFFAOYSA-N
XLogP0.58
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione (CID 117262207) is 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione is Cn1c(=O)n(C2CCCN2)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
The InChIKey is SCUPRBFORIBZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-10-6-3-2-5-9(10)12(17)16(13(15)18)11-7-4-8-14-11/h2-3,5-6,11,14H,4,7-8H2,1H3.
What are the key properties of 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione?
1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 117262207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).