2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one

C16H16N6O2 — CID 137271144

IUPAC2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
SMILESCn1cc(N2CCC(Nc3nc4ccccc4c(=O)[nH]3)C2=O)cn1
InChIInChI=1S/C16H16N6O2/c1-21-9-10(8-17-21)22-7-6-13(15(22)24)19-16-18-12-5-3-2-4-11(12)14(23)20-16/h2-5,8-9,13H,6-7H2,1H3,(H2,18,19,20,23)
InChIKeyNAFHHIIYWJGNQE-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.87
Rot. Bonds3

About 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one

2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one (PubChem CID 137271144) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
PubChem CID137271144
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
SMILESCn1cc(N2CCC(Nc3nc4ccccc4c(=O)[nH]3)C2=O)cn1
InChIInChI=1S/C16H16N6O2/c1-21-9-10(8-17-21)22-7-6-13(15(22)24)19-16-18-12-5-3-2-4-11(12)14(23)20-16/h2-5,8-9,13H,6-7H2,1H3,(H2,18,19,20,23)
InChIKeyNAFHHIIYWJGNQE-UHFFFAOYSA-N
XLogP0.87
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
CID 133306320
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133389739
2-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137268392
3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133394043
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one (CID 137271144) is 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one is Cn1cc(N2CCC(Nc3nc4ccccc4c(=O)[nH]3)C2=O)cn1.
What is the InChIKey of 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one?
The InChIKey is NAFHHIIYWJGNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-21-9-10(8-17-21)22-7-6-13(15(22)24)19-16-18-12-5-3-2-4-11(12)14(23)20-16/h2-5,8-9,13H,6-7H2,1H3,(H2,18,19,20,23).
What are the key properties of 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one?
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one has a molecular weight of 324.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137271144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).