4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide

C25H34N6O3 — CID 131954087

IUPAC4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide
SMILESO=C(CCCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccncc3)o2)CC1
InChIInChI=1S/C25H34N6O3/c32-22(7-3-6-21-28-20-5-2-1-4-19(20)23(33)29-21)27-18-10-8-16(9-11-18)24-30-31-25(34-24)17-12-14-26-15-13-17/h12-16,18-21,28H,1-11H2,(H,27,32)(H,29,33)
InChIKeyLCXWIFWSZGXJTH-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.05
Rot. Bonds7

About 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide

4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide (PubChem CID 131954087) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide
PubChem CID131954087
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide
SMILESO=C(CCCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccncc3)o2)CC1
InChIInChI=1S/C25H34N6O3/c32-22(7-3-6-21-28-20-5-2-1-4-19(20)23(33)29-21)27-18-10-8-16(9-11-18)24-30-31-25(34-24)17-12-14-26-15-13-17/h12-16,18-21,28H,1-11H2,(H,27,32)(H,29,33)
InChIKeyLCXWIFWSZGXJTH-UHFFFAOYSA-N
XLogP3.05
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide?
The IUPAC name of 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide (CID 131954087) is 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide.
What is the SMILES notation for 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide?
The canonical SMILES for 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide is O=C(CCCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccncc3)o2)CC1.
What is the InChIKey of 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide?
The InChIKey is LCXWIFWSZGXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c32-22(7-3-6-21-28-20-5-2-1-4-19(20)23(33)29-21)27-18-10-8-16(9-11-18)24-30-31-25(34-24)17-12-14-26-15-13-17/h12-16,18-21,28H,1-11H2,(H,27,32)(H,29,33).
What are the key properties of 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide?
4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide has a molecular weight of 466.59 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide is sourced from PubChem (CID 131954087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).