3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one

C21H24N2O — CID 24771246

IUPAC3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one
SMILESCCCn1c2ccccc2c2c3c(nc(C)c21)CC(C)(C)CC3=O
InChIInChI=1S/C21H24N2O/c1-5-10-23-16-9-7-6-8-14(16)18-19-15(22-13(2)20(18)23)11-21(3,4)12-17(19)24/h6-9H,5,10-12H2,1-4H3
InChIKeyMOVQUVYKQAKMOL-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.06
Rot. Bonds2

About 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one

3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one (PubChem CID 24771246) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one.

Molecular Properties

Compound Name3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one
PubChem CID24771246
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one
SMILESCCCn1c2ccccc2c2c3c(nc(C)c21)CC(C)(C)CC3=O
InChIInChI=1S/C21H24N2O/c1-5-10-23-16-9-7-6-8-14(16)18-19-15(22-13(2)20(18)23)11-21(3,4)12-17(19)24/h6-9H,5,10-12H2,1-4H3
InChIKeyMOVQUVYKQAKMOL-UHFFFAOYSA-N
XLogP5.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one?
The IUPAC name of 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one (CID 24771246) is 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one.
What is the SMILES notation for 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one?
The canonical SMILES for 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one is CCCn1c2ccccc2c2c3c(nc(C)c21)CC(C)(C)CC3=O.
What is the InChIKey of 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one?
The InChIKey is MOVQUVYKQAKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-5-10-23-16-9-7-6-8-14(16)18-19-15(22-13(2)20(18)23)11-21(3,4)12-17(19)24/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one?
3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one has a molecular weight of 320.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-7-propyl-2,4-dihydroindolo[2,3-c]quinolin-1-one is sourced from PubChem (CID 24771246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).