1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide

C23H32N6O2 — CID 55850635

IUPAC1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)CC1
InChIInChI=1S/C23H32N6O2/c1-4-5-6-11-24-21(30)17-9-12-28(13-10-17)15-20-25-26-23-27(3)22(31)18-14-16(2)7-8-19(18)29(20)23/h7-8,14,17H,4-6,9-13,15H2,1-3H3,(H,24,30)
InChIKeyKXHBZAXPSSBSED-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.41
Rot. Bonds7

About 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide

1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55850635) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55850635
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)CC1
InChIInChI=1S/C23H32N6O2/c1-4-5-6-11-24-21(30)17-9-12-28(13-10-17)15-20-25-26-23-27(3)22(31)18-14-16(2)7-8-19(18)29(20)23/h7-8,14,17H,4-6,9-13,15H2,1-3H3,(H,24,30)
InChIKeyKXHBZAXPSSBSED-UHFFFAOYSA-N
XLogP2.41
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-butyl-1-[(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)methyl]piperidine-4-carboxamide
CID 60508923
1-[(4-ethylpiperazin-1-yl)methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 87012369
1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55729163
methyl 2-(4-chlorophenyl)-2-[4-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]piperazin-1-yl]acetate
CID 60509469
1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
1-[[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25382269
tert-butyl N-[1-[1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]piperidin-2-yl]ethyl]carbamate
CID 47092388
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
8-methyl-12-[[4-(4-methylbenzoyl)piperidin-1-yl]methyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 55865427
ethyl 1-[(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)methyl]piperidine-4-carboxylate
CID 55822901
2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 55729354
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808

Frequently Asked Questions

What is the IUPAC name of 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide (CID 55850635) is 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)CC1.
What is the InChIKey of 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is KXHBZAXPSSBSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-4-5-6-11-24-21(30)17-9-12-28(13-10-17)15-20-25-26-23-27(3)22(31)18-14-16(2)7-8-19(18)29(20)23/h7-8,14,17H,4-6,9-13,15H2,1-3H3,(H,24,30).
What are the key properties of 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide?
1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55850635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).