9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one

C21H14ClN3O2 — CID 54675009

IUPAC9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(Cl)ccc2-c2c(OCCn3ccnc3)nc3ccccc3c21
InChIInChI=1S/C21H14ClN3O2/c22-13-5-6-14-16(11-13)20(26)18-15-3-1-2-4-17(15)24-21(19(14)18)27-10-9-25-8-7-23-12-25/h1-8,11-12H,9-10H2
InChIKeyMRLFTOXLKQOVHX-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.38
Rot. Bonds4

About 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one

9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one (PubChem CID 54675009) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one
PubChem CID54675009
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(Cl)ccc2-c2c(OCCn3ccnc3)nc3ccccc3c21
InChIInChI=1S/C21H14ClN3O2/c22-13-5-6-14-16(11-13)20(26)18-15-3-1-2-4-17(15)24-21(19(14)18)27-10-9-25-8-7-23-12-25/h1-8,11-12H,9-10H2
InChIKeyMRLFTOXLKQOVHX-UHFFFAOYSA-N
XLogP4.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one (CID 54675009) is 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one is O=C1c2cc(Cl)ccc2-c2c(OCCn3ccnc3)nc3ccccc3c21.
What is the InChIKey of 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one?
The InChIKey is MRLFTOXLKQOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-13-5-6-14-16(11-13)20(26)18-15-3-1-2-4-17(15)24-21(19(14)18)27-10-9-25-8-7-23-12-25/h1-8,11-12H,9-10H2.
What are the key properties of 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one?
9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one has a molecular weight of 375.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-(2-imidazol-1-ylethoxy)indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 54675009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).