1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione

C20H20N4O3 — CID 24670313

IUPAC1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCCC1c1ccncc1
InChIInChI=1S/C20H20N4O3/c25-18(23-12-3-6-16(23)14-7-10-21-11-8-14)9-13-24-17-5-2-1-4-15(17)19(26)22-20(24)27/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,22,26,27)
InChIKeyKRTHNDXHQGAFAM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione

1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione (PubChem CID 24670313) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione
PubChem CID24670313
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCCC1c1ccncc1
InChIInChI=1S/C20H20N4O3/c25-18(23-12-3-6-16(23)14-7-10-21-11-8-14)9-13-24-17-5-2-1-4-15(17)19(26)22-20(24)27/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,22,26,27)
InChIKeyKRTHNDXHQGAFAM-UHFFFAOYSA-N
XLogP1.84
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione (CID 24670313) is 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCCC1c1ccncc1.
What is the InChIKey of 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione?
The InChIKey is KRTHNDXHQGAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18(23-12-3-6-16(23)14-7-10-21-11-8-14)9-13-24-17-5-2-1-4-15(17)19(26)22-20(24)27/h1-2,4-5,7-8,10-11,16H,3,6,9,12-13H2,(H,22,26,27).
What are the key properties of 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione?
1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]quinazoline-2,4-dione is sourced from PubChem (CID 24670313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).