2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C20H19N5O3S — CID 46925615

IUPAC2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)n[nH]1
InChIInChI=1S/C20H19N5O3S/c1-13-11-17(23-22-13)21-18(26)12-25-16-7-3-2-6-15(16)19(27)24(20(25)28)9-8-14-5-4-10-29-14/h2-7,10-11H,8-9,12H2,1H3,(H2,21,22,23,26)
InChIKeyNTEIXUBIVAJUTQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.14
Rot. Bonds6

About 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 46925615) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID46925615
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)n[nH]1
InChIInChI=1S/C20H19N5O3S/c1-13-11-17(23-22-13)21-18(26)12-25-16-7-3-2-6-15(16)19(27)24(20(25)28)9-8-14-5-4-10-29-14/h2-7,10-11H,8-9,12H2,1H3,(H2,21,22,23,26)
InChIKeyNTEIXUBIVAJUTQ-UHFFFAOYSA-N
XLogP2.14
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925575
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46925538
N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925612
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 46247482
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026277
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 53196056
5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50742864
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289704
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 46925615) is 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)n[nH]1.
What is the InChIKey of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is NTEIXUBIVAJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-11-17(23-22-13)21-18(26)12-25-16-7-3-2-6-15(16)19(27)24(20(25)28)9-8-14-5-4-10-29-14/h2-7,10-11H,8-9,12H2,1H3,(H2,21,22,23,26).
What are the key properties of 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 409.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 46925615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).