2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one

C40H46N4O4 — CID 46225759

IUPAC2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(OCCN3CCCC3)ccc2-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3ccc(OCCN4CCCC4)cc3c21
InChIInChI=1S/C40H46N4O4/c45-40-34-27-31(47-25-22-43-17-3-4-18-43)11-13-33(34)37-38(40)35-28-32(48-26-23-44-19-5-6-20-44)12-14-36(35)41-39(37)29-7-9-30(10-8-29)46-24-21-42-15-1-2-16-42/h7-14,27-28H,1-6,15-26H2
InChIKeyIPZYLZLYIJIJEX-UHFFFAOYSA-N
MW646.83 g/mol
LogP6.54
Rot. Bonds13

About 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one

2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 46225759) has the molecular formula C40H46N4O4 and a molecular weight of 646.83 g/mol. Its IUPAC name is 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
PubChem CID46225759
Molecular FormulaC40H46N4O4
Molecular Weight646.83 g/mol
Exact Mass646.35
IUPAC Name2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(OCCN3CCCC3)ccc2-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3ccc(OCCN4CCCC4)cc3c21
InChIInChI=1S/C40H46N4O4/c45-40-34-27-31(47-25-22-43-17-3-4-18-43)11-13-33(34)37-38(40)35-28-32(48-26-23-44-19-5-6-20-44)12-14-36(35)41-39(37)29-7-9-30(10-8-29)46-24-21-42-15-1-2-16-42/h7-14,27-28H,1-6,15-26H2
InChIKeyIPZYLZLYIJIJEX-UHFFFAOYSA-N
XLogP6.54
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (CID 46225759) is 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is O=C1c2cc(OCCN3CCCC3)ccc2-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3ccc(OCCN4CCCC4)cc3c21.
What is the InChIKey of 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is IPZYLZLYIJIJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N4O4/c45-40-34-27-31(47-25-22-43-17-3-4-18-43)11-13-33(34)37-38(40)35-28-32(48-26-23-44-19-5-6-20-44)12-14-36(35)41-39(37)29-7-9-30(10-8-29)46-24-21-42-15-1-2-16-42/h7-14,27-28H,1-6,15-26H2.
What are the key properties of 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 646.83 g/mol, XLogP of 6.54, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2-pyrrolidin-1-ylethoxy)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46225759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).