3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one

C19H19N3O — CID 126457829

IUPAC3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(N2CCCC2)n1Cc1ccccc1
InChIInChI=1S/C19H19N3O/c23-18-16-10-4-5-11-17(16)20-19(21-12-6-7-13-21)22(18)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKeyRXYDMDPYYCMFMS-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.05
Rot. Bonds3

About 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one

3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one (PubChem CID 126457829) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
PubChem CID126457829
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(N2CCCC2)n1Cc1ccccc1
InChIInChI=1S/C19H19N3O/c23-18-16-10-4-5-11-17(16)20-19(21-12-6-7-13-21)22(18)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKeyRXYDMDPYYCMFMS-UHFFFAOYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
CID 50844325
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071926
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one
CID 71563914
3-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
CID 71802774
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2608290
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
CID 71802773

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one?
The IUPAC name of 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one (CID 126457829) is 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one is O=c1c2ccccc2nc(N2CCCC2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one?
The InChIKey is RXYDMDPYYCMFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18-16-10-4-5-11-17(16)20-19(21-12-6-7-13-21)22(18)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one?
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one has a molecular weight of 305.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one is sourced from PubChem (CID 126457829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).