5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline

C25H28N4O — CID 10216160

IUPAC5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
InChIInChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
InChIKeyXIBTUZZUCSZXOR-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.22
Rot. Bonds6

About 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline

5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline (PubChem CID 10216160) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
PubChem CID10216160
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
InChIInChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
InChIKeyXIBTUZZUCSZXOR-UHFFFAOYSA-N
XLogP4.22
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The IUPAC name of 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline (CID 10216160) is 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline.
What is the SMILES notation for 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The canonical SMILES for 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline is Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1.
What is the InChIKey of 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The InChIKey is XIBTUZZUCSZXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3.
What are the key properties of 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline has a molecular weight of 400.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1H-indol-7-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline is sourced from PubChem (CID 10216160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).