2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide

C19H24BrN5O3 — CID 39934425

IUPAC2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1
InChIInChI=1S/C19H24BrN5O3/c1-22(2)18(27)12-23-7-9-24(10-8-23)17(26)5-6-25-13-21-16-4-3-14(20)11-15(16)19(25)28/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyRKXHLYMVLFCUMX-UHFFFAOYSA-N
MW450.34 g/mol
LogP0.78
Rot. Bonds5

About 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 39934425) has the molecular formula C19H24BrN5O3 and a molecular weight of 450.34 g/mol. Its IUPAC name is 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID39934425
Molecular FormulaC19H24BrN5O3
Molecular Weight450.34 g/mol
Exact Mass449.11
IUPAC Name2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1
InChIInChI=1S/C19H24BrN5O3/c1-22(2)18(27)12-23-7-9-24(10-8-23)17(26)5-6-25-13-21-16-4-3-14(20)11-15(16)19(25)28/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyRKXHLYMVLFCUMX-UHFFFAOYSA-N
XLogP0.78
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
tert-butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 31122265
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047
6-bromo-3-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124620440
6-bromo-3-[3-[(3S)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124697383
6-bromo-3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31111530
6-bromo-3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]quinazolin-4-one
CID 38378074
6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
CID 34442046
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 39934425) is 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1.
What is the InChIKey of 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is RKXHLYMVLFCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O3/c1-22(2)18(27)12-23-7-9-24(10-8-23)17(26)5-6-25-13-21-16-4-3-14(20)11-15(16)19(25)28/h3-4,11,13H,5-10,12H2,1-2H3.
What are the key properties of 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 450.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 39934425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).