3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one

C21H21N3O3 — CID 91777595

IUPAC3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-19(23-13-11-21(27,14-23)16-6-2-1-3-7-16)10-12-24-15-22-18-9-5-4-8-17(18)20(24)26/h1-9,15,27H,10-14H2
InChIKeyFMBRNWQMXSYSFF-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.91
Rot. Bonds4

About 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one

3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one (PubChem CID 91777595) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
PubChem CID91777595
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C21H21N3O3/c25-19(23-13-11-21(27,14-23)16-6-2-1-3-7-16)10-12-24-15-22-18-9-5-4-8-17(18)20(24)26/h1-9,15,27H,10-14H2
InChIKeyFMBRNWQMXSYSFF-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
N,N-diethyl-4-hydroxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidine-4-carboxamide;formic acid
CID 171339222
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586258
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-methyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257047
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248183
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one (CID 91777595) is 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one?
The InChIKey is FMBRNWQMXSYSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(23-13-11-21(27,14-23)16-6-2-1-3-7-16)10-12-24-15-22-18-9-5-4-8-17(18)20(24)26/h1-9,15,27H,10-14H2.
What are the key properties of 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one?
3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 91777595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).