1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one

C22H20N6O — CID 133306428

IUPAC1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3nc(-c4ccccc4)c4ccccc4n3)C2=O)cn1
InChIInChI=1S/C22H20N6O/c1-27-14-16(13-23-27)28-12-11-19(21(28)29)25-22-24-18-10-6-5-9-17(18)20(26-22)15-7-3-2-4-8-15/h2-10,13-14,19H,11-12H2,1H3,(H,24,25,26)
InChIKeyCKXSTGHZMUCPKU-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one

1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one (PubChem CID 133306428) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
PubChem CID133306428
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3nc(-c4ccccc4)c4ccccc4n3)C2=O)cn1
InChIInChI=1S/C22H20N6O/c1-27-14-16(13-23-27)28-12-11-19(21(28)29)25-22-24-18-10-6-5-9-17(18)20(26-22)15-7-3-2-4-8-15/h2-10,13-14,19H,11-12H2,1H3,(H,24,25,26)
InChIKeyCKXSTGHZMUCPKU-UHFFFAOYSA-N
XLogP3.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one (CID 133306428) is 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one is Cn1cc(N2CCC(Nc3nc(-c4ccccc4)c4ccccc4n3)C2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is CKXSTGHZMUCPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-27-14-16(13-23-27)28-12-11-19(21(28)29)25-22-24-18-10-6-5-9-17(18)20(26-22)15-7-3-2-4-8-15/h2-10,13-14,19H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one?
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133306428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).