12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one

C17H17NO3 — CID 162852127

IUPAC12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
SMILESCOC1C=CC2=CC(=O)N3CCc4ccc(O)cc4C23C1
InChIInChI=1S/C17H17NO3/c1-21-14-5-3-12-8-16(20)18-7-6-11-2-4-13(19)9-15(11)17(12,18)10-14/h2-5,8-9,14,19H,6-7,10H2,1H3
InChIKeyKKTCVWIYZRRGNW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.89
Rot. Bonds1

About 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one

12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one (PubChem CID 162852127) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one.

Molecular Properties

Compound Name12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
PubChem CID162852127
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
SMILESCOC1C=CC2=CC(=O)N3CCc4ccc(O)cc4C23C1
InChIInChI=1S/C17H17NO3/c1-21-14-5-3-12-8-16(20)18-7-6-11-2-4-13(19)9-15(11)17(12,18)10-14/h2-5,8-9,14,19H,6-7,10H2,1H3
InChIKeyKKTCVWIYZRRGNW-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4aS,9S,13bS)-2,9-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
CID 162904270
methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379700
(2R,9R,13bR)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 162917505
(13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
CID 129317090
(1R,9R,10S)-4-hydroxy-10-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 172755156
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
(1R,15R,17S)-15-methoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-4-ol
CID 162977979
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
(1S,4R,6S)-4,6-dimethoxy-5-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2,11,13-triene-10,15-dione
CID 11779735
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379899
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532
4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol
CID 11731661

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one?
The IUPAC name of 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one (CID 162852127) is 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one.
What is the SMILES notation for 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one?
The canonical SMILES for 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one is COC1C=CC2=CC(=O)N3CCc4ccc(O)cc4C23C1.
What is the InChIKey of 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one?
The InChIKey is KKTCVWIYZRRGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-14-5-3-12-8-16(20)18-7-6-11-2-4-13(19)9-15(11)17(12,18)10-14/h2-5,8-9,14,19H,6-7,10H2,1H3.
What are the key properties of 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one?
12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one has a molecular weight of 283.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-2-methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one is sourced from PubChem (CID 162852127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).