N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide

C15H19N3O3 — CID 118576595

IUPACN-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)n(CCC(C)C)c(=O)c2c1
InChIInChI=1S/C15H19N3O3/c1-9(2)6-7-18-14(20)12-8-11(16-10(3)19)4-5-13(12)17-15(18)21/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyZJJHURWXMVLHRI-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.69
Rot. Bonds4

About N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide

N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide (PubChem CID 118576595) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
PubChem CID118576595
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)n(CCC(C)C)c(=O)c2c1
InChIInChI=1S/C15H19N3O3/c1-9(2)6-7-18-14(20)12-8-11(16-10(3)19)4-5-13(12)17-15(18)21/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyZJJHURWXMVLHRI-UHFFFAOYSA-N
XLogP1.69
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
CID 125431652
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
CID 155533320
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide
CID 3244789
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
CID 117262745
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261194
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 142647674
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
The IUPAC name of N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide (CID 118576595) is N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
The canonical SMILES for N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide is CC(=O)Nc1ccc2[nH]c(=O)n(CCC(C)C)c(=O)c2c1.
What is the InChIKey of N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
The InChIKey is ZJJHURWXMVLHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)6-7-18-14(20)12-8-11(16-10(3)19)4-5-13(12)17-15(18)21/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H,17,21).
What are the key properties of N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide?
N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide is sourced from PubChem (CID 118576595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).