1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

C15H21N3O3 — CID 15908469

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=C1CCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C15H21N3O3/c19-13-7-3-8-17(13)9-4-10-18-12-6-2-1-5-11(12)14(20)16-15(18)21/h1-10H2,(H,16,20,21)
InChIKeyPUADPRDRZBAYJU-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.43
Rot. Bonds4

About 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 15908469) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID15908469
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=C1CCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C15H21N3O3/c19-13-7-3-8-17(13)9-4-10-18-12-6-2-1-5-11(12)14(20)16-15(18)21/h1-10H2,(H,16,20,21)
InChIKeyPUADPRDRZBAYJU-UHFFFAOYSA-N
XLogP0.43
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 15908469) is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=C1CCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is PUADPRDRZBAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-13-7-3-8-17(13)9-4-10-18-12-6-2-1-5-11(12)14(20)16-15(18)21/h1-10H2,(H,16,20,21).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 15908469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).