N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

C24H24F2N6O4 — CID 50836907

IUPACN-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
SMILESCCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)Nc3cc(F)ccc3F)nc12
InChIInChI=1S/C24H24F2N6O4/c1-3-14(2)27-20(33)10-11-30-22(35)16-6-4-5-7-19(16)32-23(30)29-31(24(32)36)13-21(34)28-18-12-15(25)8-9-17(18)26/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,27,33)(H,28,34)
InChIKeyHRDCCYSUDZTCMJ-UHFFFAOYSA-N
MW498.49 g/mol
LogP2.03
Rot. Bonds8

About N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide (PubChem CID 50836907) has the molecular formula C24H24F2N6O4 and a molecular weight of 498.49 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
PubChem CID50836907
Molecular FormulaC24H24F2N6O4
Molecular Weight498.49 g/mol
Exact Mass498.18
IUPAC NameN-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
SMILESCCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)Nc3cc(F)ccc3F)nc12
InChIInChI=1S/C24H24F2N6O4/c1-3-14(2)27-20(33)10-11-30-22(35)16-6-4-5-7-19(16)32-23(30)29-31(24(32)36)13-21(34)28-18-12-15(25)8-9-17(18)26/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,27,33)(H,28,34)
InChIKeyHRDCCYSUDZTCMJ-UHFFFAOYSA-N
XLogP2.03
TPSA119.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide 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

3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836838
N-[(2R)-butan-2-yl]-3-[2-[2-(2-chloroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 94199008
N-(2,5-difluorophenyl)-2-[1,5-dioxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50768813
3-[2-[2-(3-fluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836942
2-(7-chloro-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-(2,5-difluorophenyl)acetamide
CID 50768885
3-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836943
N-butan-2-yl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 53199885
3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836837
3-[2-[2-(benzylamino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836940
3-[1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(2-methylpropyl)propanamide
CID 50836788
3-[2-[(4-chlorophenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836818
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 51046736

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?
The IUPAC name of N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide (CID 50836907) is N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?
The canonical SMILES for N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide is CCC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)Nc3cc(F)ccc3F)nc12.
What is the InChIKey of N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?
The InChIKey is HRDCCYSUDZTCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O4/c1-3-14(2)27-20(33)10-11-30-22(35)16-6-4-5-7-19(16)32-23(30)29-31(24(32)36)13-21(34)28-18-12-15(25)8-9-17(18)26/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,27,33)(H,28,34).
What are the key properties of N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?
N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide has a molecular weight of 498.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide is sourced from PubChem (CID 50836907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).