2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one

C22H20N4O3 — CID 126949257

IUPAC2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2C(=O)Cc2noc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-25-21(23-16-9-4-2-8-15(16)22(25)28)18-10-6-12-26(18)20(27)13-17-14-7-3-5-11-19(14)29-24-17/h2-5,7-9,11,18H,6,10,12-13H2,1H3
InChIKeyWYONANSCUZMJCD-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.98
Rot. Bonds3

About 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one

2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one (PubChem CID 126949257) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
PubChem CID126949257
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
SMILESCn1c(C2CCCN2C(=O)Cc2noc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-25-21(23-16-9-4-2-8-15(16)22(25)28)18-10-6-12-26(18)20(27)13-17-14-7-3-5-11-19(14)29-24-17/h2-5,7-9,11,18H,6,10,12-13H2,1H3
InChIKeyWYONANSCUZMJCD-UHFFFAOYSA-N
XLogP2.98
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 41105399
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410913
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421293
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 97254701
3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949266
3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950734
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949567
1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
CID 119469596
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one (CID 126949257) is 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one is Cn1c(C2CCCN2C(=O)Cc2noc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
The InChIKey is WYONANSCUZMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-25-21(23-16-9-4-2-8-15(16)22(25)28)18-10-6-12-26(18)20(27)13-17-14-7-3-5-11-19(14)29-24-17/h2-5,7-9,11,18H,6,10,12-13H2,1H3.
What are the key properties of 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one?
2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one has a molecular weight of 388.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126949257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).