2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C26H28N6O4 — CID 50775462

IUPAC2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NCc3ccccc3)nc12
InChIInChI=1S/C26H28N6O4/c1-30-24(35)20-13-12-18(23(34)28-19-10-6-3-7-11-19)14-21(20)32-25(30)29-31(26(32)36)16-22(33)27-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,27,33)(H,28,34)
InChIKeyREFHZEITRIYZPR-UHFFFAOYSA-N
MW488.55 g/mol
LogP1.73
Rot. Bonds6

About 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50775462) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
PubChem CID50775462
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NCc3ccccc3)nc12
InChIInChI=1S/C26H28N6O4/c1-30-24(35)20-13-12-18(23(34)28-19-10-6-3-7-11-19)14-21(20)32-25(30)29-31(26(32)36)16-22(33)27-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,27,33)(H,28,34)
InChIKeyREFHZEITRIYZPR-UHFFFAOYSA-N
XLogP1.73
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-chlorophenyl)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775377
N-cyclopentyl-1,5-dioxo-2-phenacyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775019
N-cyclohexyl-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774879
N-cyclohexyl-2-[2-(N-methylanilino)-2-oxoethyl]-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775712
N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775213
N-cyclohexyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774981
N-cyclopentyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775541
2-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774852
N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237
N-cyclohexyl-2-[(4-fluorophenyl)methyl]-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774863
2-(4-benzyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-cyclohexylacetamide
CID 50768877
N-cyclopentyl-2-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774823

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The IUPAC name of 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50775462) is 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.
What is the SMILES notation for 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The canonical SMILES for 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NCc3ccccc3)nc12.
What is the InChIKey of 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The InChIKey is REFHZEITRIYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-30-24(35)20-13-12-18(23(34)28-19-10-6-3-7-11-19)14-21(20)32-25(30)29-31(26(32)36)16-22(33)27-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,27,33)(H,28,34).
What are the key properties of 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50775462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).