5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one

C21H20N2O2 — CID 91043249

IUPAC5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
SMILESCCn1c2c(c(=O)c3cc(C(C)C)ccc31)C(N=O)c1ccccc1-2
InChIInChI=1S/C21H20N2O2/c1-4-23-17-10-9-13(12(2)3)11-16(17)21(24)18-19(22-25)14-7-5-6-8-15(14)20(18)23/h5-12,19H,4H2,1-3H3
InChIKeyGGCUXLFNCOYAGI-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.98
Rot. Bonds3

About 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one

5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one (PubChem CID 91043249) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one.

Molecular Properties

Compound Name5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
PubChem CID91043249
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one
SMILESCCn1c2c(c(=O)c3cc(C(C)C)ccc31)C(N=O)c1ccccc1-2
InChIInChI=1S/C21H20N2O2/c1-4-23-17-10-9-13(12(2)3)11-16(17)21(24)18-19(22-25)14-7-5-6-8-15(14)20(18)23/h5-12,19H,4H2,1-3H3
InChIKeyGGCUXLFNCOYAGI-UHFFFAOYSA-N
XLogP4.98
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
The IUPAC name of 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one (CID 91043249) is 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one.
What is the SMILES notation for 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
The canonical SMILES for 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one is CCn1c2c(c(=O)c3cc(C(C)C)ccc31)C(N=O)c1ccccc1-2.
What is the InChIKey of 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
The InChIKey is GGCUXLFNCOYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-4-23-17-10-9-13(12(2)3)11-16(17)21(24)18-19(22-25)14-7-5-6-8-15(14)20(18)23/h5-12,19H,4H2,1-3H3.
What are the key properties of 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one?
5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one has a molecular weight of 332.40 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-11-nitroso-8-propan-2-yl-11H-indeno[1,2-b]quinolin-10-one is sourced from PubChem (CID 91043249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).