5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol

C19H18N2O3 — CID 90702021

IUPAC5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
SMILESCOc1cc2cn(-c3ccc4c(ccn4C)c3)c(O)c2cc1OC
InChIInChI=1S/C19H18N2O3/c1-20-7-6-12-8-14(4-5-16(12)20)21-11-13-9-17(23-2)18(24-3)10-15(13)19(21)22/h4-11,22H,1-3H3
InChIKeyLMBRDGQIWAAXCN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.85
Rot. Bonds3

About 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol

5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol (PubChem CID 90702021) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol.

Molecular Properties

Compound Name5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
PubChem CID90702021
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
SMILESCOc1cc2cn(-c3ccc4c(ccn4C)c3)c(O)c2cc1OC
InChIInChI=1S/C19H18N2O3/c1-20-7-6-12-8-14(4-5-16(12)20)21-11-13-9-17(23-2)18(24-3)10-15(13)19(21)22/h4-11,22H,1-3H3
InChIKeyLMBRDGQIWAAXCN-UHFFFAOYSA-N
XLogP3.85
TPSA48.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-5-yl)isoindol-1-ol
CID 91339272
2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol
CID 91609054
5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
CID 91519522
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
5-methoxy-1-methylindole
CID 819864
2,3-dimethoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]phenol;yttrium
CID 177336882
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
CID 91411221
2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol
CID 90693809
2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
CID 91249384
4-[5-amino-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methoxy-2-propan-2-ylphenol
CID 136603143
[(5R)-8-(1-methylindol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
CID 154722951

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
The IUPAC name of 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol (CID 90702021) is 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol.
What is the SMILES notation for 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
The canonical SMILES for 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol is COc1cc2cn(-c3ccc4c(ccn4C)c3)c(O)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
The InChIKey is LMBRDGQIWAAXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20-7-6-12-8-14(4-5-16(12)20)21-11-13-9-17(23-2)18(24-3)10-15(13)19(21)22/h4-11,22H,1-3H3.
What are the key properties of 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol has a molecular weight of 322.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol is sourced from PubChem (CID 90702021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).