acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole

C15H18N2O3 — CID 5493293

IUPACacetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole
SMILESCC(=O)O.COC1=CCc2c([nH]c3c(C)nccc23)C1
InChIInChI=1S/C13H14N2O.C2H4O2/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;1-2(3)4/h3,5-6,15H,4,7H2,1-2H3;1H3,(H,3,4)
InChIKeyFPUDOKFYGJXSOI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.59
Rot. Bonds1

About acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole

acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole (PubChem CID 5493293) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole.

Molecular Properties

Compound Nameacetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole
PubChem CID5493293
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameacetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole
SMILESCC(=O)O.COC1=CCc2c([nH]c3c(C)nccc23)C1
InChIInChI=1S/C13H14N2O.C2H4O2/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;1-2(3)4/h3,5-6,15H,4,7H2,1-2H3;1H3,(H,3,4)
InChIKeyFPUDOKFYGJXSOI-UHFFFAOYSA-N
XLogP2.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide
CID 54683866
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
8-methoxy-1-methylisoquinoline-7-carboxylic acid
CID 84682582
(2-fluoro-5-methoxyphenyl)methanamine;3-(2-fluoro-5-methoxyphenyl)-1-(1-methyl-9H-pyrido[3,4-b]indol-7-yl)propan-1-one;methane;1-methyl-9H-pyrido[3,4-b]indole-7-carboxylic acid
CID 159126777
7-methyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512752
3-iodo-8-methyl-1H-1,7-naphthyridin-4-one
CID 102941594
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
1H-indole;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 175384815
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
CID 110667856
methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate
CID 121367808

Frequently Asked Questions

What is the IUPAC name of acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole?
The IUPAC name of acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole (CID 5493293) is acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole.
What is the SMILES notation for acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole?
The canonical SMILES for acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole is CC(=O)O.COC1=CCc2c([nH]c3c(C)nccc23)C1.
What is the InChIKey of acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole?
The InChIKey is FPUDOKFYGJXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C2H4O2/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;1-2(3)4/h3,5-6,15H,4,7H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole?
acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole has a molecular weight of 274.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole is sourced from PubChem (CID 5493293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).