2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one

C25H19NO4 — CID 46228201

IUPAC2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one
SMILESCOc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2C3=O)cc1
InChIInChI=1S/C25H19NO4/c1-28-15-6-4-14(5-7-15)24-22-18-10-8-16(29-2)12-19(18)25(27)23(22)20-13-17(30-3)9-11-21(20)26-24/h4-13H,1-3H3
InChIKeyUMRYZOHHOZGROL-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.14
Rot. Bonds4

About 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one

2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one (PubChem CID 46228201) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one
PubChem CID46228201
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one
SMILESCOc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2C3=O)cc1
InChIInChI=1S/C25H19NO4/c1-28-15-6-4-14(5-7-15)24-22-18-10-8-16(29-2)12-19(18)25(27)23(22)20-13-17(30-3)9-11-21(20)26-24/h4-13H,1-3H3
InChIKeyUMRYZOHHOZGROL-UHFFFAOYSA-N
XLogP5.14
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one?
The IUPAC name of 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one (CID 46228201) is 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one is COc1ccc(-c2nc3ccc(OC)cc3c3c2-c2ccc(OC)cc2C3=O)cc1.
What is the InChIKey of 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one?
The InChIKey is UMRYZOHHOZGROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-28-15-6-4-14(5-7-15)24-22-18-10-8-16(29-2)12-19(18)25(27)23(22)20-13-17(30-3)9-11-21(20)26-24/h4-13H,1-3H3.
What are the key properties of 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one?
2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one has a molecular weight of 397.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 46228201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).