N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H20N6O2 — CID 155916269

IUPACN-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc(NC(=O)CCn2cnc3ccccc3c2=O)nn1C(C)C
InChIInChI=1S/C17H20N6O2/c1-11(2)23-12(3)19-17(21-23)20-15(24)8-9-22-10-18-14-7-5-4-6-13(14)16(22)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,24)
InChIKeyRVGARNAVLKXWMS-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.91
Rot. Bonds5

About N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 155916269) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID155916269
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc(NC(=O)CCn2cnc3ccccc3c2=O)nn1C(C)C
InChIInChI=1S/C17H20N6O2/c1-11(2)23-12(3)19-17(21-23)20-15(24)8-9-22-10-18-14-7-5-4-6-13(14)16(22)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,24)
InChIKeyRVGARNAVLKXWMS-UHFFFAOYSA-N
XLogP1.91
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 155916269) is N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1nc(NC(=O)CCn2cnc3ccccc3c2=O)nn1C(C)C.
What is the InChIKey of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is RVGARNAVLKXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11(2)23-12(3)19-17(21-23)20-15(24)8-9-22-10-18-14-7-5-4-6-13(14)16(22)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,24).
What are the key properties of N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 340.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 155916269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).