5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole

C20H22N2O2 — CID 177391980

IUPAC5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
SMILESCOc1ccc2c(c1)CC(c1cn(C)c3ccc(OC)cc13)N2C
InChIInChI=1S/C20H22N2O2/c1-21-12-17(16-11-15(24-4)6-8-19(16)21)20-10-13-9-14(23-3)5-7-18(13)22(20)2/h5-9,11-12,20H,10H2,1-4H3
InChIKeyMBSXCKRUXSYXPP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.93
Rot. Bonds3

About 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole

5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole (PubChem CID 177391980) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole.

Molecular Properties

Compound Name5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
PubChem CID177391980
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
SMILESCOc1ccc2c(c1)CC(c1cn(C)c3ccc(OC)cc13)N2C
InChIInChI=1S/C20H22N2O2/c1-21-12-17(16-11-15(24-4)6-8-19(16)21)20-10-13-9-14(23-3)5-7-18(13)22(20)2/h5-9,11-12,20H,10H2,1-4H3
InChIKeyMBSXCKRUXSYXPP-UHFFFAOYSA-N
XLogP3.93
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
CID 131009926
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
3-bromo-5-methoxy-1-methylindole
CID 67003649
4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 71171577
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
6-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833453
6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole
CID 57250330
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
N-[(Z)-[(2R,3S)-2-(5-methoxy-1-methylindol-3-yl)-3-phenylcyclobutylidene]methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 134953583

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole?
The IUPAC name of 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole (CID 177391980) is 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole.
What is the SMILES notation for 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole?
The canonical SMILES for 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole is COc1ccc2c(c1)CC(c1cn(C)c3ccc(OC)cc13)N2C.
What is the InChIKey of 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole?
The InChIKey is MBSXCKRUXSYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21-12-17(16-11-15(24-4)6-8-19(16)21)20-10-13-9-14(23-3)5-7-18(13)22(20)2/h5-9,11-12,20H,10H2,1-4H3.
What are the key properties of 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole?
5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole has a molecular weight of 322.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole is sourced from PubChem (CID 177391980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).