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

C15H18N2O — CID 18336947

IUPAC2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
SMILESCCN1C(C)C(=O)c2c([nH]c3ccccc23)C1C
InChIInChI=1S/C15H18N2O/c1-4-17-9(2)14-13(15(18)10(17)3)11-7-5-6-8-12(11)16-14/h5-10,16H,4H2,1-3H3
InChIKeyVFTQPYYJKMTEGH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.14
Rot. Bonds1

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

2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one (PubChem CID 18336947) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one.

Molecular Properties

Compound Name2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
PubChem CID18336947
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one
SMILESCCN1C(C)C(=O)c2c([nH]c3ccccc23)C1C
InChIInChI=1S/C15H18N2O/c1-4-17-9(2)14-13(15(18)10(17)3)11-7-5-6-8-12(11)16-14/h5-10,16H,4H2,1-3H3
InChIKeyVFTQPYYJKMTEGH-UHFFFAOYSA-N
XLogP3.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(9H-carbazole);propane
CID 90987002
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022
1-(2-acetyl-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl)ethanone
CID 18717677
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
10H-acridin-9-one;ethane
CID 91525380
9H-carbazole;propane-1,1-diol
CID 19846299
9H-carbazole;9-ethylcarbazole
CID 159391034
(1S,3S)-2-acetyl-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 6968378
3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
CID 21234649
3-ethoxy-2-methyl-9H-carbazole-1,4-dione
CID 15458383

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
The IUPAC name of 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one (CID 18336947) is 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one.
What is the SMILES notation for 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
The canonical SMILES for 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one is CCN1C(C)C(=O)c2c([nH]c3ccccc23)C1C.
What is the InChIKey of 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
The InChIKey is VFTQPYYJKMTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-17-9(2)14-13(15(18)10(17)3)11-7-5-6-8-12(11)16-14/h5-10,16H,4H2,1-3H3.
What are the key properties of 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one?
2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one has a molecular weight of 242.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dimethyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one is sourced from PubChem (CID 18336947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).