[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone

C25H26N4O2 — CID 90683529

IUPAC[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
SMILESCc1cc2cc(OCCN3CCN(C(=O)c4ccnc5ccccc45)CC3)ccc2[nH]1
InChIInChI=1S/C25H26N4O2/c1-18-16-19-17-20(6-7-23(19)27-18)31-15-14-28-10-12-29(13-11-28)25(30)22-8-9-26-24-5-3-2-4-21(22)24/h2-9,16-17,27H,10-15H2,1H3
InChIKeyQGAMPVXEPPRANO-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.86
Rot. Bonds5

About [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone

[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone (PubChem CID 90683529) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
PubChem CID90683529
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
SMILESCc1cc2cc(OCCN3CCN(C(=O)c4ccnc5ccccc45)CC3)ccc2[nH]1
InChIInChI=1S/C25H26N4O2/c1-18-16-19-17-20(6-7-23(19)27-18)31-15-14-28-10-12-29(13-11-28)25(30)22-8-9-26-24-5-3-2-4-21(22)24/h2-9,16-17,27H,10-15H2,1H3
InChIKeyQGAMPVXEPPRANO-UHFFFAOYSA-N
XLogP3.86
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone with MolForge

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Related Compounds

(1-methylimidazol-4-yl)-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683531
1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683523
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 59250163
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
N-(2-methyl-1H-indol-5-yl)-5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;2-methyl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 159741679
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone
CID 130317673

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone (CID 90683529) is [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone is Cc1cc2cc(OCCN3CCN(C(=O)c4ccnc5ccccc45)CC3)ccc2[nH]1.
What is the InChIKey of [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone?
The InChIKey is QGAMPVXEPPRANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-16-19-17-20(6-7-23(19)27-18)31-15-14-28-10-12-29(13-11-28)25(30)22-8-9-26-24-5-3-2-4-21(22)24/h2-9,16-17,27H,10-15H2,1H3.
What are the key properties of [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone?
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone has a molecular weight of 414.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 90683529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).