4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide

C21H21BrN6O2 — CID 67109328

IUPAC4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide
SMILESNc1ncnc2cc(CCN3CCN(C(=O)Nc4ccc(Br)cc4)CC3=O)ccc12
InChIInChI=1S/C21H21BrN6O2/c22-15-2-4-16(5-3-15)26-21(30)28-10-9-27(19(29)12-28)8-7-14-1-6-17-18(11-14)24-13-25-20(17)23/h1-6,11,13H,7-10,12H2,(H,26,30)(H2,23,24,25)
InChIKeyDIUBQCWROAAFGP-UHFFFAOYSA-N
MW469.34 g/mol
LogP2.89
Rot. Bonds4

About 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide

4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 67109328) has the molecular formula C21H21BrN6O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide
PubChem CID67109328
Molecular FormulaC21H21BrN6O2
Molecular Weight469.34 g/mol
Exact Mass468.09
IUPAC Name4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide
SMILESNc1ncnc2cc(CCN3CCN(C(=O)Nc4ccc(Br)cc4)CC3=O)ccc12
InChIInChI=1S/C21H21BrN6O2/c22-15-2-4-16(5-3-15)26-21(30)28-10-9-27(19(29)12-28)8-7-14-1-6-17-18(11-14)24-13-25-20(17)23/h1-6,11,13H,7-10,12H2,(H,26,30)(H2,23,24,25)
InChIKeyDIUBQCWROAAFGP-UHFFFAOYSA-N
XLogP2.89
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]benzenecarboximidamide
CID 67013777
(5-chlorothiophen-2-yl)methyl 4-[(4-aminoquinazolin-7-yl)methyl]-3-oxopiperazine-1-carboxylate
CID 54168402
N-(4-bromophenyl)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 93072599
3-[3-[4-[2-(4-aminoquinazolin-7-yl)ethoxymethyl]-3-oxopiperazin-1-yl]-3-oxopropyl]benzenecarboximidamide
CID 67014470
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
N-(4-bromophenyl)-4-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833001
N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832820
N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832959
1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea
CID 70072328
1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(4-chlorophenoxy)ethyl]piperazin-2-one
CID 54455575
N-(4-bromophenyl)-4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833014
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide (CID 67109328) is 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide is Nc1ncnc2cc(CCN3CCN(C(=O)Nc4ccc(Br)cc4)CC3=O)ccc12.
What is the InChIKey of 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is DIUBQCWROAAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O2/c22-15-2-4-16(5-3-15)26-21(30)28-10-9-27(19(29)12-28)8-7-14-1-6-17-18(11-14)24-13-25-20(17)23/h1-6,11,13H,7-10,12H2,(H,26,30)(H2,23,24,25).
What are the key properties of 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide?
4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 469.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 67109328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).