1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one

C13H11FN2O — CID 115037629

IUPAC1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCCc1[nH]c(=O)cc2c1[nH]c1c(F)cccc12
InChIInChI=1S/C13H11FN2O/c1-2-10-13-8(6-11(17)15-10)7-4-3-5-9(14)12(7)16-13/h3-6,16H,2H2,1H3,(H,15,17)
InChIKeySTEZDVZYTJEMBE-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.71
Rot. Bonds1

About 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one

1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one (PubChem CID 115037629) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
PubChem CID115037629
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCCc1[nH]c(=O)cc2c1[nH]c1c(F)cccc12
InChIInChI=1S/C13H11FN2O/c1-2-10-13-8(6-11(17)15-10)7-4-3-5-9(14)12(7)16-13/h3-6,16H,2H2,1H3,(H,15,17)
InChIKeySTEZDVZYTJEMBE-UHFFFAOYSA-N
XLogP2.71
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115043749
2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
CID 84674927
1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
CID 107431840
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190
3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115029017
8-fluoro-1H-quinazoline-2,4-dione
CID 10080993
2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505547
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-fluoro-1H-quinolin-4-one
CID 22580244
8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
CID 65333661
1-ethyl-5,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
CID 115043759
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one?
The IUPAC name of 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one (CID 115037629) is 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one.
What is the SMILES notation for 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one?
The canonical SMILES for 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one is CCc1[nH]c(=O)cc2c1[nH]c1c(F)cccc12.
What is the InChIKey of 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one?
The InChIKey is STEZDVZYTJEMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-2-10-13-8(6-11(17)15-10)7-4-3-5-9(14)12(7)16-13/h3-6,16H,2H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one?
1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one has a molecular weight of 230.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115037629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).