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

C36H38FN3O3 — CID 46228181

IUPAC2-fluoro-9-(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(F)cc3c21
InChIInChI=1S/C36H38FN3O3/c37-26-9-14-32-31(23-26)34-33(29-13-12-28(24-30(29)36(34)41)43-22-20-40-17-5-2-6-18-40)35(38-32)25-7-10-27(11-8-25)42-21-19-39-15-3-1-4-16-39/h7-14,23-24H,1-6,15-22H2
InChIKeyQHUWGZJPOSFFGQ-UHFFFAOYSA-N
MW579.72 g/mol
LogP6.98
Rot. Bonds9

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

2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 46228181) has the molecular formula C36H38FN3O3 and a molecular weight of 579.72 g/mol. Its IUPAC name is 2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one
PubChem CID46228181
Molecular FormulaC36H38FN3O3
Molecular Weight579.72 g/mol
Exact Mass579.29
IUPAC Name2-fluoro-9-(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(F)cc3c21
InChIInChI=1S/C36H38FN3O3/c37-26-9-14-32-31(23-26)34-33(29-13-12-28(24-30(29)36(34)41)43-22-20-40-17-5-2-6-18-40)35(38-32)25-7-10-27(11-8-25)42-21-19-39-15-3-1-4-16-39/h7-14,23-24H,1-6,15-22H2
InChIKeyQHUWGZJPOSFFGQ-UHFFFAOYSA-N
XLogP6.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.72
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The IUPAC name of 2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one (CID 46228181) is 2-fluoro-9-(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-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 2-fluoro-9-(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(F)cc3c21.
What is the InChIKey of 2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
The InChIKey is QHUWGZJPOSFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38FN3O3/c37-26-9-14-32-31(23-26)34-33(29-13-12-28(24-30(29)36(34)41)43-22-20-40-17-5-2-6-18-40)35(38-32)25-7-10-27(11-8-25)42-21-19-39-15-3-1-4-16-39/h7-14,23-24H,1-6,15-22H2.
What are the key properties of 2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one?
2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 579.72 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-(2-piperidin-1-ylethoxy)-6-[4-(2-piperidin-1-ylethoxy)phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46228181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).