3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one

C22H23NO — CID 516456

IUPAC3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
SMILESCCc1ccc2c(c1)-c1c(c(=O)c3ccc(C(C)C)cc3n1C)C2
InChIInChI=1S/C22H23NO/c1-5-14-6-7-16-11-19-21(18(16)10-14)23(4)20-12-15(13(2)3)8-9-17(20)22(19)24/h6-10,12-13H,5,11H2,1-4H3
InChIKeyXXMMFVIUVAGUGK-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.80
Rot. Bonds2

About 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one

3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one (PubChem CID 516456) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
PubChem CID516456
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
SMILESCCc1ccc2c(c1)-c1c(c(=O)c3ccc(C(C)C)cc3n1C)C2
InChIInChI=1S/C22H23NO/c1-5-14-6-7-16-11-19-21(18(16)10-14)23(4)20-12-15(13(2)3)8-9-17(20)22(19)24/h6-10,12-13H,5,11H2,1-4H3
InChIKeyXXMMFVIUVAGUGK-UHFFFAOYSA-N
XLogP4.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
The IUPAC name of 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one (CID 516456) is 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one.
What is the SMILES notation for 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
The canonical SMILES for 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one is CCc1ccc2c(c1)-c1c(c(=O)c3ccc(C(C)C)cc3n1C)C2.
What is the InChIKey of 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
The InChIKey is XXMMFVIUVAGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-5-14-6-7-16-11-19-21(18(16)10-14)23(4)20-12-15(13(2)3)8-9-17(20)22(19)24/h6-10,12-13H,5,11H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one has a molecular weight of 317.43 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-7-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one is sourced from PubChem (CID 516456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).