6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine

C16H18BrFN4 — CID 133399497

IUPAC6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine
SMILESFc1cc2nc(NCC3CN4CCN3CC4)ccc2cc1Br
InChIInChI=1S/C16H18BrFN4/c17-13-7-11-1-2-16(20-15(11)8-14(13)18)19-9-12-10-21-3-5-22(12)6-4-21/h1-2,7-8,12H,3-6,9-10H2,(H,19,20)
InChIKeyQPXDZUZSYPGOCV-UHFFFAOYSA-N
MW365.25 g/mol
LogP2.55
Rot. Bonds3

About 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine

6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine (PubChem CID 133399497) has the molecular formula C16H18BrFN4 and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine
PubChem CID133399497
Molecular FormulaC16H18BrFN4
Molecular Weight365.25 g/mol
Exact Mass364.07
IUPAC Name6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine
SMILESFc1cc2nc(NCC3CN4CCN3CC4)ccc2cc1Br
InChIInChI=1S/C16H18BrFN4/c17-13-7-11-1-2-16(20-15(11)8-14(13)18)19-9-12-10-21-3-5-22(12)6-4-21/h1-2,7-8,12H,3-6,9-10H2,(H,19,20)
InChIKeyQPXDZUZSYPGOCV-UHFFFAOYSA-N
XLogP2.55
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine 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

6-Bromoquipazine
CID 130261
N~4~-benzyl-N~2~-(4-bromophenyl)quinazoline-2,4-diamine
CID 1943389
4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline
CID 71542984
N''-{6-bromo-2-[(E)-2-(3,4-difluorophenyl)vinyl]quinazolin-4-yl}-N,N-dimethylethane-1,2-diamine
CID 121453090
7-bromo-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine
CID 164618025
2-(4-Bromophenyl)-4-(piperazin-1-yl)quinazoline
CID 1212776
6-Bromo-4-(piperazin-1-yl)quinazoline
CID 7137844
N''-{6-bromo-2-[(E)-2-(3,4-difluorophenyl)vinyl]quinazolin-4-yl}-N,N-dimethylpropane-1,3-diamine
CID 121453029
N''-{6-bromo-2-[(E)-2-(4-fluorophenyl)vinyl]quinazolin-4-yl}-N,N-dimethylpropane-1,3-diamine
CID 121453061
N''-{6-bromo-2-[(E)-2-(4-fluorophenyl)vinyl]quinazolin-4-yl}-N,N-diethylpropane-1,3-diamine
CID 121453085
N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 121453110
N-[6-bromo-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 121453137

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine?
The IUPAC name of 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine (CID 133399497) is 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine.
What is the SMILES notation for 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine?
The canonical SMILES for 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine is Fc1cc2nc(NCC3CN4CCN3CC4)ccc2cc1Br.
What is the InChIKey of 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine?
The InChIKey is QPXDZUZSYPGOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4/c17-13-7-11-1-2-16(20-15(11)8-14(13)18)19-9-12-10-21-3-5-22(12)6-4-21/h1-2,7-8,12H,3-6,9-10H2,(H,19,20).
What are the key properties of 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine?
6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine has a molecular weight of 365.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-7-fluoroquinolin-2-amine is sourced from PubChem (CID 133399497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).