2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

C25H26N6O2 — CID 53012982

IUPAC2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(-c2nnc(-c3nc(NC(C)C(=O)N4CCCCC4)c4ccccc4n3)o2)c1
InChIInChI=1S/C25H26N6O2/c1-16-9-8-10-18(15-16)23-29-30-24(33-23)22-27-20-12-5-4-11-19(20)21(28-22)26-17(2)25(32)31-13-6-3-7-14-31/h4-5,8-12,15,17H,3,6-7,13-14H2,1-2H3,(H,26,27,28)
InChIKeyDMNMJVCMJIOJGD-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.47
Rot. Bonds5

About 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 53012982) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID53012982
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(-c2nnc(-c3nc(NC(C)C(=O)N4CCCCC4)c4ccccc4n3)o2)c1
InChIInChI=1S/C25H26N6O2/c1-16-9-8-10-18(15-16)23-29-30-24(33-23)22-27-20-12-5-4-11-19(20)21(28-22)26-17(2)25(32)31-13-6-3-7-14-31/h4-5,8-12,15,17H,3,6-7,13-14H2,1-2H3,(H,26,27,28)
InChIKeyDMNMJVCMJIOJGD-UHFFFAOYSA-N
XLogP4.47
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-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-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 53012982) is 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is Cc1cccc(-c2nnc(-c3nc(NC(C)C(=O)N4CCCCC4)c4ccccc4n3)o2)c1.
What is the InChIKey of 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DMNMJVCMJIOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-9-8-10-18(15-16)23-29-30-24(33-23)22-27-20-12-5-4-11-19(20)21(28-22)26-17(2)25(32)31-13-6-3-7-14-31/h4-5,8-12,15,17H,3,6-7,13-14H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 442.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 53012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).