1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine

C22H25N3O2 — CID 54204059

IUPAC1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine
SMILESCOc1ccc2c(c1)CC(c1c[nH]c3ccc(OC)cc13)N2/C=N/C(C)C
InChIInChI=1S/C22H25N3O2/c1-14(2)24-13-25-21-8-6-16(26-3)9-15(21)10-22(25)19-12-23-20-7-5-17(27-4)11-18(19)20/h5-9,11-14,22-23H,10H2,1-4H3/b24-13+
InChIKeyPRGQTNGESSGMJF-ZMOGYAJESA-N
MW363.46 g/mol
LogP4.73
Rot. Bonds5

About 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine

1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine (PubChem CID 54204059) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine
PubChem CID54204059
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine
SMILESCOc1ccc2c(c1)CC(c1c[nH]c3ccc(OC)cc13)N2/C=N/C(C)C
InChIInChI=1S/C22H25N3O2/c1-14(2)24-13-25-21-8-6-16(26-3)9-15(21)10-22(25)19-12-23-20-7-5-17(27-4)11-18(19)20/h5-9,11-14,22-23H,10H2,1-4H3/b24-13+
InChIKeyPRGQTNGESSGMJF-ZMOGYAJESA-N
XLogP4.73
TPSA49.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 15254976
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
3-(5-methoxy-1H-indol-3-yl)-1-methylpyrrolidine-2,2,5,5-tetrol
CID 167471754
3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
CID 133298637
2-(5-methoxy-1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 68647559
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
CID 177391980
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 132838842

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine?
The IUPAC name of 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine (CID 54204059) is 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine?
The canonical SMILES for 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine is COc1ccc2c(c1)CC(c1c[nH]c3ccc(OC)cc13)N2/C=N/C(C)C.
What is the InChIKey of 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine?
The InChIKey is PRGQTNGESSGMJF-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)24-13-25-21-8-6-16(26-3)9-15(21)10-22(25)19-12-23-20-7-5-17(27-4)11-18(19)20/h5-9,11-14,22-23H,10H2,1-4H3/b24-13+.
What are the key properties of 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine?
1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine has a molecular weight of 363.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(5-methoxy-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-N-propan-2-ylmethanimine is sourced from PubChem (CID 54204059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).