2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one

C20H21N3O — CID 137268434

IUPAC2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCC2CCc2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c24-19-17-10-4-5-11-18(17)21-20(22-19)23-14-6-9-16(23)13-12-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,22,24)
InChIKeyPECAWDQFOYAWRV-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.52
Rot. Bonds4

About 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one

2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one (PubChem CID 137268434) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one
PubChem CID137268434
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCC2CCc2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c24-19-17-10-4-5-11-18(17)21-20(22-19)23-14-6-9-16(23)13-12-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,22,24)
InChIKeyPECAWDQFOYAWRV-UHFFFAOYSA-N
XLogP3.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
2-[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]quinoxaline
CID 97015354
2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137054059
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
6-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248397
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
6-[2-(phenoxymethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263067
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one (CID 137268434) is 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(N2CCCC2CCc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is PECAWDQFOYAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-19-17-10-4-5-11-18(17)21-20(22-19)23-14-6-9-16(23)13-12-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,22,24).
What are the key properties of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one?
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137268434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).