7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline

C12H11BrClFN4 — CID 123902748

IUPAC7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline
SMILESFc1c(Br)c(Cl)cc2c(N3CCNCC3)ncnc12
InChIInChI=1S/C12H11BrClFN4/c13-9-8(14)5-7-11(10(9)15)17-6-18-12(7)19-3-1-16-2-4-19/h5-6,16H,1-4H2
InChIKeyODTNPOBOOKWVLT-UHFFFAOYSA-N
MW345.60 g/mol
LogP2.59
Rot. Bonds1

About 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline

7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline (PubChem CID 123902748) has the molecular formula C12H11BrClFN4 and a molecular weight of 345.60 g/mol. Its IUPAC name is 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline
PubChem CID123902748
Molecular FormulaC12H11BrClFN4
Molecular Weight345.60 g/mol
Exact Mass343.98
IUPAC Name7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline
SMILESFc1c(Br)c(Cl)cc2c(N3CCNCC3)ncnc12
InChIInChI=1S/C12H11BrClFN4/c13-9-8(14)5-7-11(10(9)15)17-6-18-12(7)19-3-1-16-2-4-19/h5-6,16H,1-4H2
InChIKeyODTNPOBOOKWVLT-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-chloro-8-fluoro-2-methoxy-4-piperazin-1-ylquinazoline
CID 165123929
1-(7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-2-yl)-N,N-dimethylmethanamine
CID 151135008
tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
CID 118010241
tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane
CID 178153097
7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
CID 118018983
7-bromo-6-iodo-4-piperazin-1-ylquinazoline
CID 155267428
tert-butyl (2S,5S)-4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 135387432
6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146624860
tert-butyl 4-(6-chloro-8-fluoro-7-methylquinazolin-4-yl)piperazine-1-carboxylate
CID 139540046
(3E)-3-[6-chloro-8-fluoro-4-(4-methylpiperazin-1-yl)quinazolin-7-yl]-4-fluoropenta-1,3-dien-2-ol;ethane
CID 154677915
4-[6-chloro-7-(2,3-difluoro-6-hydroxyphenyl)-8-fluoroquinazolin-4-yl]piperazine-1-carboxylic acid
CID 137082231
2-[4-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-6-chloro-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 137218457

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline?
The IUPAC name of 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline (CID 123902748) is 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline?
The canonical SMILES for 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline is Fc1c(Br)c(Cl)cc2c(N3CCNCC3)ncnc12.
What is the InChIKey of 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline?
The InChIKey is ODTNPOBOOKWVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN4/c13-9-8(14)5-7-11(10(9)15)17-6-18-12(7)19-3-1-16-2-4-19/h5-6,16H,1-4H2.
What are the key properties of 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline?
7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline has a molecular weight of 345.60 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 123902748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).