3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one

C14H15N3O2 — CID 4908291

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCCC1
InChIInChI=1S/C14H15N3O2/c18-13(16-7-3-4-8-16)9-17-10-15-12-6-2-1-5-11(12)14(17)19/h1-2,5-6,10H,3-4,7-9H2
InChIKeyZBCYKDBWXUDGID-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.02
Rot. Bonds2

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 4908291) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
PubChem CID4908291
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCCC1
InChIInChI=1S/C14H15N3O2/c18-13(16-7-3-4-8-16)9-17-10-15-12-6-2-1-5-11(12)14(17)19/h1-2,5-6,10H,3-4,7-9H2
InChIKeyZBCYKDBWXUDGID-UHFFFAOYSA-N
XLogP1.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
CID 40789776
3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42907612
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
3-methyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257047

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 4908291) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one?
The InChIKey is ZBCYKDBWXUDGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(16-7-3-4-8-16)9-17-10-15-12-6-2-1-5-11(12)14(17)19/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one?
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 4908291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).