1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide

C24H32N6O4 — CID 20881217

IUPAC1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)N3CCC(C(N)=O)CC3)nnc12
InChIInChI=1S/C24H32N6O4/c1-16(2)34-15-5-12-29-23(33)18-6-3-4-7-19(18)30-20(26-27-24(29)30)8-9-21(31)28-13-10-17(11-14-28)22(25)32/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H2,25,32)
InChIKeyHIIULVPFKOZMCY-UHFFFAOYSA-N
MW468.56 g/mol
LogP1.52
Rot. Bonds9

About 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide

1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 20881217) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide
PubChem CID20881217
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)N3CCC(C(N)=O)CC3)nnc12
InChIInChI=1S/C24H32N6O4/c1-16(2)34-15-5-12-29-23(33)18-6-3-4-7-19(18)30-20(26-27-24(29)30)8-9-21(31)28-13-10-17(11-14-28)22(25)32/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H2,25,32)
InChIKeyHIIULVPFKOZMCY-UHFFFAOYSA-N
XLogP1.52
TPSA124.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide (CID 20881217) is 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide is CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)N3CCC(C(N)=O)CC3)nnc12.
What is the InChIKey of 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is HIIULVPFKOZMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-16(2)34-15-5-12-29-23(33)18-6-3-4-7-19(18)30-20(26-27-24(29)30)8-9-21(31)28-13-10-17(11-14-28)22(25)32/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H2,25,32).
What are the key properties of 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-oxo-4-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20881217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).