5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

C26H26ClN5O2 — CID 167936923

IUPAC5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1C1CC1)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C26H26ClN5O2/c27-18-6-9-21-20(16-18)24(17-4-2-1-3-5-17)29-26(28-21)31-14-12-30(13-15-31)25(34)22-10-11-23(33)32(22)19-7-8-19/h1-6,9,16,19,22H,7-8,10-15H2
InChIKeyJHIHSFKNJSABJC-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.75
Rot. Bonds4

About 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 167936923) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID167936923
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1C1CC1)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C26H26ClN5O2/c27-18-6-9-21-20(16-18)24(17-4-2-1-3-5-17)29-26(28-21)31-14-12-30(13-15-31)25(34)22-10-11-23(33)32(22)19-7-8-19/h1-6,9,16,19,22H,7-8,10-15H2
InChIKeyJHIHSFKNJSABJC-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (CID 167936923) is 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is O=C(C1CCC(=O)N1C1CC1)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is JHIHSFKNJSABJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c27-18-6-9-21-20(16-18)24(17-4-2-1-3-5-17)29-26(28-21)31-14-12-30(13-15-31)25(34)22-10-11-23(33)32(22)19-7-8-19/h1-6,9,16,19,22H,7-8,10-15H2.
What are the key properties of 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 475.98 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 167936923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).