2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

C24H32N6O3 — CID 131954073

IUPAC2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
SMILESO=C1NC(CCCC(=O)N2CCC(c3nnc(-c4ccncc4)o3)CC2)NC2CCCCC12
InChIInChI=1S/C24H32N6O3/c31-21(7-3-6-20-26-19-5-2-1-4-18(19)22(32)27-20)30-14-10-17(11-15-30)24-29-28-23(33-24)16-8-12-25-13-9-16/h8-9,12-13,17-20,26H,1-7,10-11,14-15H2,(H,27,32)
InChIKeyLSCWWWAIHPAHPA-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one

2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one (PubChem CID 131954073) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
PubChem CID131954073
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
SMILESO=C1NC(CCCC(=O)N2CCC(c3nnc(-c4ccncc4)o3)CC2)NC2CCCCC12
InChIInChI=1S/C24H32N6O3/c31-21(7-3-6-20-26-19-5-2-1-4-18(19)22(32)27-20)30-14-10-17(11-15-30)24-29-28-23(33-24)16-8-12-25-13-9-16/h8-9,12-13,17-20,26H,1-7,10-11,14-15H2,(H,27,32)
InChIKeyLSCWWWAIHPAHPA-UHFFFAOYSA-N
XLogP2.61
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-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 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one?
The IUPAC name of 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one (CID 131954073) is 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one?
The canonical SMILES for 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one is O=C1NC(CCCC(=O)N2CCC(c3nnc(-c4ccncc4)o3)CC2)NC2CCCCC12.
What is the InChIKey of 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one?
The InChIKey is LSCWWWAIHPAHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c31-21(7-3-6-20-26-19-5-2-1-4-18(19)22(32)27-20)30-14-10-17(11-15-30)24-29-28-23(33-24)16-8-12-25-13-9-16/h8-9,12-13,17-20,26H,1-7,10-11,14-15H2,(H,27,32).
What are the key properties of 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one?
2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one has a molecular weight of 452.56 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one is sourced from PubChem (CID 131954073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).