2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C21H18N4O2 — CID 135939650

IUPAC2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C1CCCN1c1cccc(Cc2cc3[nH]c(=O)c4ccccc4n3n2)c1
InChIInChI=1S/C21H18N4O2/c26-20-9-4-10-24(20)16-6-3-5-14(12-16)11-15-13-19-22-21(27)17-7-1-2-8-18(17)25(19)23-15/h1-3,5-8,12-13H,4,9-11H2,(H,22,27)
InChIKeyOBBHOCSRXHRBBQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.89
Rot. Bonds3

About 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939650) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939650
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C1CCCN1c1cccc(Cc2cc3[nH]c(=O)c4ccccc4n3n2)c1
InChIInChI=1S/C21H18N4O2/c26-20-9-4-10-24(20)16-6-3-5-14(12-16)11-15-13-19-22-21(27)17-7-1-2-8-18(17)25(19)23-15/h1-3,5-8,12-13H,4,9-11H2,(H,22,27)
InChIKeyOBBHOCSRXHRBBQ-UHFFFAOYSA-N
XLogP2.89
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromophenyl)methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939646
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
2-indazol-1-yl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 56782819
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939650) is 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C1CCCN1c1cccc(Cc2cc3[nH]c(=O)c4ccccc4n3n2)c1.
What is the InChIKey of 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is OBBHOCSRXHRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-9-4-10-24(20)16-6-3-5-14(12-16)11-15-13-19-22-21(27)17-7-1-2-8-18(17)25(19)23-15/h1-3,5-8,12-13H,4,9-11H2,(H,22,27).
What are the key properties of 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 358.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).