N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide

C23H23N5O2 — CID 22711999

IUPACN-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide
SMILESCc1nnc2n(Cc3ccccc3)c(=O)c3cc(N(C=O)C4CCCC4)ccc3n12
InChIInChI=1S/C23H23N5O2/c1-16-24-25-23-26(14-17-7-3-2-4-8-17)22(30)20-13-19(11-12-21(20)28(16)23)27(15-29)18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3
InChIKeyFAHVWFDMVGDWNT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.31
Rot. Bonds5

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

N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide (PubChem CID 22711999) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide.

Molecular Properties

Compound NameN-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide
PubChem CID22711999
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide
SMILESCc1nnc2n(Cc3ccccc3)c(=O)c3cc(N(C=O)C4CCCC4)ccc3n12
InChIInChI=1S/C23H23N5O2/c1-16-24-25-23-26(14-17-7-3-2-4-8-17)22(30)20-13-19(11-12-21(20)28(16)23)27(15-29)18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3
InChIKeyFAHVWFDMVGDWNT-UHFFFAOYSA-N
XLogP3.31
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide?
The IUPAC name of N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide (CID 22711999) is N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide.
What is the SMILES notation for N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide?
The canonical SMILES for N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide is Cc1nnc2n(Cc3ccccc3)c(=O)c3cc(N(C=O)C4CCCC4)ccc3n12.
What is the InChIKey of N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide?
The InChIKey is FAHVWFDMVGDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-24-25-23-26(14-17-7-3-2-4-8-17)22(30)20-13-19(11-12-21(20)28(16)23)27(15-29)18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3.
What are the key properties of N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide?
N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide has a molecular weight of 401.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-7-yl)-N-cyclopentylformamide is sourced from PubChem (CID 22711999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).