1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one

C15H16N2O — CID 115043759

IUPAC1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
SMILESCCc1[nH]c(=O)cc2c3c(C)cccc3n(C)c12
InChIInChI=1S/C15H16N2O/c1-4-11-15-10(8-13(18)16-11)14-9(2)6-5-7-12(14)17(15)3/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyGNBHCYAXZULOJL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.89
Rot. Bonds1

About 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one

1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one (PubChem CID 115043759) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
PubChem CID115043759
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
SMILESCCc1[nH]c(=O)cc2c3c(C)cccc3n(C)c12
InChIInChI=1S/C15H16N2O/c1-4-11-15-10(8-13(18)16-11)14-9(2)6-5-7-12(14)17(15)3/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyGNBHCYAXZULOJL-UHFFFAOYSA-N
XLogP2.89
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115043749
9,17,27-trimethyl-9,14,24-triazaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13(18),16,20,23(28),26-decaene-12,15,19,22,25,29-hexone
CID 11202896
4-ethyl-1,2,3-trimethylindole
CID 118253289
1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115037629
9-methyl-1-propan-2-yl-2H-pyrido[3,4-b]indol-3-one
CID 115043760
4-ethyl-2,8-dimethylisoquinolin-1-one
CID 115063469
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
4,5,10-trimethylphenanthridin-6-one
CID 132522082
ethane;1,2,4-trimethylindole
CID 91318944
1-ethyl-9-methylcarbazole
CID 21455608
1,3,4-trimethylindole-2-carbaldehyde
CID 105442636

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
The IUPAC name of 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one (CID 115043759) is 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one.
What is the SMILES notation for 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
The canonical SMILES for 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one is CCc1[nH]c(=O)cc2c3c(C)cccc3n(C)c12.
What is the InChIKey of 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
The InChIKey is GNBHCYAXZULOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-11-15-10(8-13(18)16-11)14-9(2)6-5-7-12(14)17(15)3/h5-8H,4H2,1-3H3,(H,16,18).
What are the key properties of 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one has a molecular weight of 240.31 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115043759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).