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

C24H30N6O3S — CID 50774477

IUPACN-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)NC3CCCC3)nnc12
InChIInChI=1S/C24H30N6O3S/c1-29-22(33)18-12-11-15(21(32)26-17-7-3-2-4-8-17)13-19(18)30-23(29)27-28-24(30)34-14-20(31)25-16-9-5-6-10-16/h11-13,16-17H,2-10,14H2,1H3,(H,25,31)(H,26,32)
InChIKeyBFCLZWPHSCMOSK-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.79
Rot. Bonds6

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

N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50774477) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
PubChem CID50774477
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC NameN-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)NC3CCCC3)nnc12
InChIInChI=1S/C24H30N6O3S/c1-29-22(33)18-12-11-15(21(32)26-17-7-3-2-4-8-17)13-19(18)30-23(29)27-28-24(30)34-14-20(31)25-16-9-5-6-10-16/h11-13,16-17H,2-10,14H2,1H3,(H,25,31)(H,26,32)
InChIKeyBFCLZWPHSCMOSK-UHFFFAOYSA-N
XLogP2.79
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[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

N-cyclopentyl-4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774474
1-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774524
N-cyclohexyl-1-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774535
N-cyclopentyl-1-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 30849691
1-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentyl-4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 122245006
N-cyclooctyl-2-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 41338785
2-[2-(benzylamino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775462
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 51258646
N-cyclohexyl-3-[1-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 50837244
N-cyclopropyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493452
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
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50774477) is N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)NC3CCCC3)nnc12.
What is the InChIKey of N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
The InChIKey is BFCLZWPHSCMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-29-22(33)18-12-11-15(21(32)26-17-7-3-2-4-8-17)13-19(18)30-23(29)27-28-24(30)34-14-20(31)25-16-9-5-6-10-16/h11-13,16-17H,2-10,14H2,1H3,(H,25,31)(H,26,32).
What are the key properties of N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?
N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50774477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).