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

C43H52N4O4 — CID 46225760

IUPAC2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(OCCN3CCCCC3)ccc2-c2c(-c3ccc(OCCN4CCCCC4)cc3)nc3ccc(OCCN4CCCCC4)cc3c21
InChIInChI=1S/C43H52N4O4/c48-43-37-30-34(50-28-25-46-20-6-2-7-21-46)14-16-36(37)40-41(43)38-31-35(51-29-26-47-22-8-3-9-23-47)15-17-39(38)44-42(40)32-10-12-33(13-11-32)49-27-24-45-18-4-1-5-19-45/h10-17,30-31H,1-9,18-29H2
InChIKeySCHJVKBYTKNNOI-UHFFFAOYSA-N
MW688.91 g/mol
LogP7.71
Rot. Bonds13

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

2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 46225760) has the molecular formula C43H52N4O4 and a molecular weight of 688.91 g/mol. Its IUPAC name is 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
PubChem CID46225760
Molecular FormulaC43H52N4O4
Molecular Weight688.91 g/mol
Exact Mass688.40
IUPAC Name2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(OCCN3CCCCC3)ccc2-c2c(-c3ccc(OCCN4CCCCC4)cc3)nc3ccc(OCCN4CCCCC4)cc3c21
InChIInChI=1S/C43H52N4O4/c48-43-37-30-34(50-28-25-46-20-6-2-7-21-46)14-16-36(37)40-41(43)38-31-35(51-29-26-47-22-8-3-9-23-47)15-17-39(38)44-42(40)32-10-12-33(13-11-32)49-27-24-45-18-4-1-5-19-45/h10-17,30-31H,1-9,18-29H2
InChIKeySCHJVKBYTKNNOI-UHFFFAOYSA-N
XLogP7.71
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 57.71
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-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (CID 46225760) is 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is O=C1c2cc(OCCN3CCCCC3)ccc2-c2c(-c3ccc(OCCN4CCCCC4)cc3)nc3ccc(OCCN4CCCCC4)cc3c21.
What is the InChIKey of 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is SCHJVKBYTKNNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N4O4/c48-43-37-30-34(50-28-25-46-20-6-2-7-21-46)14-16-36(37)40-41(43)38-31-35(51-29-26-47-22-8-3-9-23-47)15-17-39(38)44-42(40)32-10-12-33(13-11-32)49-27-24-45-18-4-1-5-19-45/h10-17,30-31H,1-9,18-29H2.
What are the key properties of 2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
2,9-bis(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 688.91 g/mol, XLogP of 7.71, 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-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46225760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).