2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile

C26H23BrN6 — CID 134813039

IUPAC2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile
SMILESCN1CCN(c2nc3ccccc3cc2-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)CC1
InChIInChI=1S/C26H23BrN6/c1-32-10-12-33(13-11-32)26-21(14-18-4-2-3-5-23(18)31-26)20-15-24(30-25(29)22(20)16-28)17-6-8-19(27)9-7-17/h2-9,14-15H,10-13H2,1H3,(H2,29,30)
InChIKeyKDBUQTXRFNJQBD-UHFFFAOYSA-N
MW499.42 g/mol
LogP4.93
Rot. Bonds3

About 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile (PubChem CID 134813039) has the molecular formula C26H23BrN6 and a molecular weight of 499.42 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile
PubChem CID134813039
Molecular FormulaC26H23BrN6
Molecular Weight499.42 g/mol
Exact Mass498.12
IUPAC Name2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile
SMILESCN1CCN(c2nc3ccccc3cc2-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)CC1
InChIInChI=1S/C26H23BrN6/c1-32-10-12-33(13-11-32)26-21(14-18-4-2-3-5-23(18)31-26)20-15-24(30-25(29)22(20)16-28)17-6-8-19(27)9-7-17/h2-9,14-15H,10-13H2,1H3,(H2,29,30)
InChIKeyKDBUQTXRFNJQBD-UHFFFAOYSA-N
XLogP4.93
TPSA82.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 44286463
2-(4-Methylpiperazin-1-yl)-4-phenylquinoline
CID 721629
1-(4-Bromobenzyl)-3-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)urea
CID 44408099
7-Bromo-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841608
4-[2-Amino-4-(4-methylpiperazin-1-yl)quinazolin-7-yl]benzonitrile
CID 49841612
6-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile
CID 650739
6-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile
CID 654577
7-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carbonitrile
CID 865680
3-[2-[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10478334
3-Methyl-2-(4-methyl-piperazin-1-yl)-4-phenyl-quinoline
CID 10495722
1,1-Dimethyl-4-(7,8,9,10-tetrahydro-phenanthridin-6-yl)-piperazin-1-ium
CID 10502377

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile (CID 134813039) is 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile is CN1CCN(c2nc3ccccc3cc2-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)CC1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile?
The InChIKey is KDBUQTXRFNJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN6/c1-32-10-12-33(13-11-32)26-21(14-18-4-2-3-5-23(18)31-26)20-15-24(30-25(29)22(20)16-28)17-6-8-19(27)9-7-17/h2-9,14-15H,10-13H2,1H3,(H2,29,30).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile has a molecular weight of 499.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134813039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).