4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline

C18H17BrFN5 — CID 166601671

IUPAC4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline
SMILESFc1ccc2c(N3CCN(Cc4cncc(Br)c4)CC3)ncnc2c1
InChIInChI=1S/C18H17BrFN5/c19-14-7-13(9-21-10-14)11-24-3-5-25(6-4-24)18-16-2-1-15(20)8-17(16)22-12-23-18/h1-2,7-10,12H,3-6,11H2
InChIKeyLVDFOWXFVJUPHP-UHFFFAOYSA-N
MW402.27 g/mol
LogP3.25
Rot. Bonds3

About 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline

4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline (PubChem CID 166601671) has the molecular formula C18H17BrFN5 and a molecular weight of 402.27 g/mol. Its IUPAC name is 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline.

Molecular Properties

Compound Name4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline
PubChem CID166601671
Molecular FormulaC18H17BrFN5
Molecular Weight402.27 g/mol
Exact Mass401.07
IUPAC Name4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline
SMILESFc1ccc2c(N3CCN(Cc4cncc(Br)c4)CC3)ncnc2c1
InChIInChI=1S/C18H17BrFN5/c19-14-7-13(9-21-10-14)11-24-3-5-25(6-4-24)18-16-2-1-15(20)8-17(16)22-12-23-18/h1-2,7-10,12H,3-6,11H2
InChIKeyLVDFOWXFVJUPHP-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline 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

1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165433120
7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
CID 171334705
7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline
CID 154830107
3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71995970
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoroquinazoline
CID 24742053
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 155974702
6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
CID 170641448
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 18150328

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline?
The IUPAC name of 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline (CID 166601671) is 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline.
What is the SMILES notation for 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline?
The canonical SMILES for 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline is Fc1ccc2c(N3CCN(Cc4cncc(Br)c4)CC3)ncnc2c1.
What is the InChIKey of 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline?
The InChIKey is LVDFOWXFVJUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN5/c19-14-7-13(9-21-10-14)11-24-3-5-25(6-4-24)18-16-2-1-15(20)8-17(16)22-12-23-18/h1-2,7-10,12H,3-6,11H2.
What are the key properties of 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline?
4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline has a molecular weight of 402.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline is sourced from PubChem (CID 166601671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).