2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide

C15H19N3O3 — CID 4064970

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-8-16-13(19)9-18-14(20)11-5-3-4-6-12(11)17-15(18)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyDRRFVWUJTPHQQY-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.85
Rot. Bonds5

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide (PubChem CID 4064970) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
PubChem CID4064970
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)7-8-16-13(19)9-18-14(20)11-5-3-4-6-12(11)17-15(18)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyDRRFVWUJTPHQQY-UHFFFAOYSA-N
XLogP0.85
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447887
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide
CID 94798530
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
CID 47078412
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
CID 125431652
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55669099
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
CID 3244789
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 98786116

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide (CID 4064970) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is DRRFVWUJTPHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)7-8-16-13(19)9-18-14(20)11-5-3-4-6-12(11)17-15(18)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 4064970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).