3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one

C21H21N3O2 — CID 51319060

IUPAC3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCCC1c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20(24-13-6-11-19(24)16-7-2-1-3-8-16)12-14-23-15-22-18-10-5-4-9-17(18)21(23)26/h1-5,7-10,15,19H,6,11-14H2
InChIKeyCBXNFACCVAXDJQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.15
Rot. Bonds4

About 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one

3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one (PubChem CID 51319060) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
PubChem CID51319060
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCCC1c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20(24-13-6-11-19(24)16-7-2-1-3-8-16)12-14-23-15-22-18-10-5-4-9-17(18)21(23)26/h1-5,7-10,15,19H,6,11-14H2
InChIKeyCBXNFACCVAXDJQ-UHFFFAOYSA-N
XLogP3.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
3-[4-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 47078514
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 97150651
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141217853
6-bromo-3-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 55509282
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-amino-N-[[1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579742
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one (CID 51319060) is 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCCC1c1ccccc1.
What is the InChIKey of 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one?
The InChIKey is CBXNFACCVAXDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(24-13-6-11-19(24)16-7-2-1-3-8-16)12-14-23-15-22-18-10-5-4-9-17(18)21(23)26/h1-5,7-10,15,19H,6,11-14H2.
What are the key properties of 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one?
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 51319060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).