5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde

C17H22N2O3 — CID 4769907

IUPAC5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(O)ccc2n1CCCN1CCOCC1
InChIInChI=1S/C17H22N2O3/c1-13-16(12-20)15-11-14(21)3-4-17(15)19(13)6-2-5-18-7-9-22-10-8-18/h3-4,11-12,21H,2,5-10H2,1H3
InChIKeyURIQTRQPVOTLRF-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.19
Rot. Bonds5

About 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde

5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde (PubChem CID 4769907) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
PubChem CID4769907
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(O)ccc2n1CCCN1CCOCC1
InChIInChI=1S/C17H22N2O3/c1-13-16(12-20)15-11-14(21)3-4-17(15)19(13)6-2-5-18-7-9-22-10-8-18/h3-4,11-12,21H,2,5-10H2,1H3
InChIKeyURIQTRQPVOTLRF-UHFFFAOYSA-N
XLogP2.19
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-hydroxy-2-methylindole-3-carbaldehyde
CID 99991157
1-butyl-3-formyl-2-methylindole-5-carboxylic acid
CID 83947383
2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
CID 15925647
2-(4-hydroxyphenyl)-3-methyl-1-(8-pyrrolidin-1-yloctyl)indol-5-ol
CID 15925649
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 141453727
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
CID 56837830
3-[2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrol-3-yl]-3-oxopropanoic acid
CID 170887151
5-hydroxy-15-methyl-10-(3-morpholin-4-ylpropylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 24784529
(2Z)-6-hydroxy-2-[[5-methoxy-2-methyl-1-(2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1-benzofuran-3-one
CID 69003831

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde?
The IUPAC name of 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde (CID 4769907) is 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde is Cc1c(C=O)c2cc(O)ccc2n1CCCN1CCOCC1.
What is the InChIKey of 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde?
The InChIKey is URIQTRQPVOTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-16(12-20)15-11-14(21)3-4-17(15)19(13)6-2-5-18-7-9-22-10-8-18/h3-4,11-12,21H,2,5-10H2,1H3.
What are the key properties of 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde?
5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde has a molecular weight of 302.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde is sourced from PubChem (CID 4769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).