8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

C12H11FN2O2 — CID 105424112

IUPAC8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESCOc1c(F)ccc2[nH]c3c(c12)C(=O)NCC3
InChIInChI=1S/C12H11FN2O2/c1-17-11-6(13)2-3-7-9(11)10-8(15-7)4-5-14-12(10)16/h2-3,15H,4-5H2,1H3,(H,14,16)
InChIKeyVUVUKFUBNJPKPD-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.60
Rot. Bonds1

About 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (PubChem CID 105424112) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
PubChem CID105424112
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESCOc1c(F)ccc2[nH]c3c(c12)C(=O)NCC3
InChIInChI=1S/C12H11FN2O2/c1-17-11-6(13)2-3-7-9(11)10-8(15-7)4-5-14-12(10)16/h2-3,15H,4-5H2,1H3,(H,14,16)
InChIKeyVUVUKFUBNJPKPD-UHFFFAOYSA-N
XLogP1.60
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424119
7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424071
8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424073
2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398566
6-fluoro-7-methoxy-1H-indole-2,3-dione
CID 22274397
3-(3-fluoro-2-methoxyanilino)-2-(2-phenyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249962
6,9-dichloro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424141
3-(3-fluoro-2-methoxyanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 150618680
3-(3-fluoro-2-methoxyanilino)-2-[6-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398721
3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249855
2-[3-[[(2R)-azetidin-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155241029
tert-butyl N-[4-[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]-2-methylbut-3-yn-2-yl]carbamate
CID 163223708

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The IUPAC name of 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (CID 105424112) is 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is COc1c(F)ccc2[nH]c3c(c12)C(=O)NCC3.
What is the InChIKey of 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The InChIKey is VUVUKFUBNJPKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-17-11-6(13)2-3-7-9(11)10-8(15-7)4-5-14-12(10)16/h2-3,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one has a molecular weight of 234.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 105424112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).