4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide

C22H22F2N4O2 — CID 91436354

IUPAC4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide
SMILESNC(=O)CC(Cn1c(N2CCCC2)nc2cc(F)cc(F)c2c1=O)c1ccccc1
InChIInChI=1S/C22H22F2N4O2/c23-16-11-17(24)20-18(12-16)26-22(27-8-4-5-9-27)28(21(20)30)13-15(10-19(25)29)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2,(H2,25,29)
InChIKeyNTKPXTIHJCFBTQ-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.93
Rot. Bonds6

About 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide

4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide (PubChem CID 91436354) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide
PubChem CID91436354
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide
SMILESNC(=O)CC(Cn1c(N2CCCC2)nc2cc(F)cc(F)c2c1=O)c1ccccc1
InChIInChI=1S/C22H22F2N4O2/c23-16-11-17(24)20-18(12-16)26-22(27-8-4-5-9-27)28(21(20)30)13-15(10-19(25)29)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2,(H2,25,29)
InChIKeyNTKPXTIHJCFBTQ-UHFFFAOYSA-N
XLogP2.93
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide?
The IUPAC name of 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide (CID 91436354) is 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide.
What is the SMILES notation for 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide?
The canonical SMILES for 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide is NC(=O)CC(Cn1c(N2CCCC2)nc2cc(F)cc(F)c2c1=O)c1ccccc1.
What is the InChIKey of 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide?
The InChIKey is NTKPXTIHJCFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-16-11-17(24)20-18(12-16)26-22(27-8-4-5-9-27)28(21(20)30)13-15(10-19(25)29)14-6-2-1-3-7-14/h1-3,6-7,11-12,15H,4-5,8-10,13H2,(H2,25,29).
What are the key properties of 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide?
4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide has a molecular weight of 412.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-difluoro-4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)-3-phenylbutanamide is sourced from PubChem (CID 91436354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).