6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane

C31H42N6 — CID 156743919

IUPAC6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane
SMILESC/C=C(\C)c1nc2ccccn2c1-c1ccc2ncc(NCCN3CCN(C(C)C)CC3)cc2c1.CC
InChIInChI=1S/C29H36N6.C2H6/c1-5-22(4)28-29(35-12-7-6-8-27(35)32-28)23-9-10-26-24(18-23)19-25(20-31-26)30-11-13-33-14-16-34(17-15-33)21(2)3;1-2/h5-10,12,18-21,30H,11,13-17H2,1-4H3;1-2H3/b22-5+;
InChIKeyHXZKXWYJXRNJBD-IBIOFQPKSA-N
MW498.72 g/mol
LogP6.44
Rot. Bonds7

About 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane

6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane (PubChem CID 156743919) has the molecular formula C31H42N6 and a molecular weight of 498.72 g/mol. Its IUPAC name is 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane.

Molecular Properties

Compound Name6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane
PubChem CID156743919
Molecular FormulaC31H42N6
Molecular Weight498.72 g/mol
Exact Mass498.35
IUPAC Name6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane
SMILESC/C=C(\C)c1nc2ccccn2c1-c1ccc2ncc(NCCN3CCN(C(C)C)CC3)cc2c1.CC
InChIInChI=1S/C29H36N6.C2H6/c1-5-22(4)28-29(35-12-7-6-8-27(35)32-28)23-9-10-26-24(18-23)19-25(20-31-26)30-11-13-33-14-16-34(17-15-33)21(2)3;1-2/h5-10,12,18-21,30H,11,13-17H2,1-4H3;1-2H3/b22-5+;
InChIKeyHXZKXWYJXRNJBD-IBIOFQPKSA-N
XLogP6.44
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.72
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane with MolForge

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Related Compounds

6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
CID 167367223
3-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051665
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine
CID 171729477
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561539
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62559865
N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]acridin-9-amine
CID 44531380
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531421

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane?
The IUPAC name of 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane (CID 156743919) is 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane.
What is the SMILES notation for 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane?
The canonical SMILES for 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane is C/C=C(\C)c1nc2ccccn2c1-c1ccc2ncc(NCCN3CCN(C(C)C)CC3)cc2c1.CC.
What is the InChIKey of 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane?
The InChIKey is HXZKXWYJXRNJBD-IBIOFQPKSA-N. The full InChI is InChI=1S/C29H36N6.C2H6/c1-5-22(4)28-29(35-12-7-6-8-27(35)32-28)23-9-10-26-24(18-23)19-25(20-31-26)30-11-13-33-14-16-34(17-15-33)21(2)3;1-2/h5-10,12,18-21,30H,11,13-17H2,1-4H3;1-2H3/b22-5+;.
What are the key properties of 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane?
6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane has a molecular weight of 498.72 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-but-2-en-2-yl]imidazo[1,2-a]pyridin-3-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine;ethane is sourced from PubChem (CID 156743919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).