2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C21H22N4O2 — CID 46403234

IUPAC2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c26-20(14-25-15-23-19-9-5-4-8-18(19)21(25)27)22-12-16-10-11-24(13-16)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,22,26)
InChIKeyWKQQTWUSPKIGGG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 46403234) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID46403234
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c26-20(14-25-15-23-19-9-5-4-8-18(19)21(25)27)22-12-16-10-11-24(13-16)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,22,26)
InChIKeyWKQQTWUSPKIGGG-UHFFFAOYSA-N
XLogP2.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55652171
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 42958854
(3R,4R)-4-cyclopropyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979644
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
2-(2-oxo-1,3,4-thiadiazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 102562250
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2603996
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 46403234) is 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is WKQQTWUSPKIGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(14-25-15-23-19-9-5-4-8-18(19)21(25)27)22-12-16-10-11-24(13-16)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,22,26).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 46403234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).