N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide

C20H28N5O3+ — CID 8671777

IUPACN-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCC(C)(C)NC(=O)C[NH+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)22-17(26)12-23-8-10-24(11-9-23)18(27)13-25-14-21-16-7-5-4-6-15(16)19(25)28/h4-7,14H,8-13H2,1-3H3,(H,22,26)/p+1
InChIKeyFBZUONJLRJXGFO-UHFFFAOYSA-O
MW386.48 g/mol
LogP-0.96
Rot. Bonds4

About N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide

N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 8671777) has the molecular formula C20H28N5O3+ and a molecular weight of 386.48 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide
PubChem CID8671777
Molecular FormulaC20H28N5O3+
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC NameN-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCC(C)(C)NC(=O)C[NH+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)22-17(26)12-23-8-10-24(11-9-23)18(27)13-25-14-21-16-7-5-4-6-15(16)19(25)28/h4-7,14H,8-13H2,1-3H3,(H,22,26)/p+1
InChIKeyFBZUONJLRJXGFO-UHFFFAOYSA-O
XLogP-0.96
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide with MolForge

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Related Compounds

3-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642405
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642933
3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 2079949
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
3-[6-(4-benzylpiperazin-4-ium-1-yl)-6-oxohexyl]quinazolin-4-one
CID 7632354
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide (CID 8671777) is N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide is CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is FBZUONJLRJXGFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N5O3/c1-20(2,3)22-17(26)12-23-8-10-24(11-9-23)18(27)13-25-14-21-16-7-5-4-6-15(16)19(25)28/h4-7,14H,8-13H2,1-3H3,(H,22,26)/p+1.
What are the key properties of N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide?
N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-(4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8671777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).