6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one

C18H18BrN5O2S — CID 34442046

IUPAC6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H18BrN5O2S/c19-13-1-2-15-14(11-13)17(26)24(12-21-15)5-3-16(25)22-6-8-23(9-7-22)18-20-4-10-27-18/h1-2,4,10-12H,3,5-9H2
InChIKeyIMEGKJPMHDAOOJ-UHFFFAOYSA-N
MW448.35 g/mol
LogP2.35
Rot. Bonds4

About 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one

6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 34442046) has the molecular formula C18H18BrN5O2S and a molecular weight of 448.35 g/mol. Its IUPAC name is 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID34442046
Molecular FormulaC18H18BrN5O2S
Molecular Weight448.35 g/mol
Exact Mass447.04
IUPAC Name6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H18BrN5O2S/c19-13-1-2-15-14(11-13)17(26)24(12-21-15)5-3-16(25)22-6-8-23(9-7-22)18-20-4-10-27-18/h1-2,4,10-12H,3,5-9H2
InChIKeyIMEGKJPMHDAOOJ-UHFFFAOYSA-N
XLogP2.35
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

6-bromo-3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31111530
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047
tert-butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 31122265
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425
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-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
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-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
6-chloro-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 134005488

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one (CID 34442046) is 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one is O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is IMEGKJPMHDAOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O2S/c19-13-1-2-15-14(11-13)17(26)24(12-21-15)5-3-16(25)22-6-8-23(9-7-22)18-20-4-10-27-18/h1-2,4,10-12H,3,5-9H2.
What are the key properties of 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one?
6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 448.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 34442046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).