2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide

C19H25N5O4 — CID 55669099

IUPAC2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C19H25N5O4/c1-2-7-20-16(25)12-22-8-10-23(11-9-22)17(26)13-24-18(27)14-5-3-4-6-15(14)21-19(24)28/h3-6H,2,7-13H2,1H3,(H,20,25)(H,21,28)
InChIKeyBCWMLTBYTNCAQZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.64
Rot. Bonds6

About 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55669099) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55669099
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C19H25N5O4/c1-2-7-20-16(25)12-22-8-10-23(11-9-22)17(26)13-24-18(27)14-5-3-4-6-15(14)21-19(24)28/h3-6H,2,7-13H2,1H3,(H,20,25)(H,21,28)
InChIKeyBCWMLTBYTNCAQZ-UHFFFAOYSA-N
XLogP-0.64
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide with MolForge

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Related Compounds

3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 56802473
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
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-(3-methylbutyl)acetamide
CID 4064970
3-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 35995168
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 120809231
2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134029509
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 98786116
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide (CID 55669099) is 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is BCWMLTBYTNCAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-2-7-20-16(25)12-22-8-10-23(11-9-22)17(26)13-24-18(27)14-5-3-4-6-15(14)21-19(24)28/h3-6H,2,7-13H2,1H3,(H,20,25)(H,21,28).
What are the key properties of 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 387.44 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55669099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).