(4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane

C27H36N4O6 — CID 157431033

IUPAC(4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane
SMILESC1CCOC1.COC(=O)c1cc2c(N)c(OC)ccc2n1C.COc1ccc2c(cc(CO)n2C)c1N
InChIInChI=1S/C12H14N2O3.C11H14N2O2.C4H8O/c1-14-8-4-5-10(16-2)11(13)7(8)6-9(14)12(15)17-3;1-13-7(6-14)5-8-9(13)3-4-10(15-2)11(8)12;1-2-4-5-3-1/h4-6H,13H2,1-3H3;3-5,14H,6,12H2,1-2H3;1-4H2
InChIKeyBQNPOTDJOUPRKK-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.61
Rot. Bonds4

About (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane

(4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane (PubChem CID 157431033) has the molecular formula C27H36N4O6 and a molecular weight of 512.61 g/mol. Its IUPAC name is (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane.

Molecular Properties

Compound Name(4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane
PubChem CID157431033
Molecular FormulaC27H36N4O6
Molecular Weight512.61 g/mol
Exact Mass512.26
IUPAC Name(4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane
SMILESC1CCOC1.COC(=O)c1cc2c(N)c(OC)ccc2n1C.COc1ccc2c(cc(CO)n2C)c1N
InChIInChI=1S/C12H14N2O3.C11H14N2O2.C4H8O/c1-14-8-4-5-10(16-2)11(13)7(8)6-9(14)12(15)17-3;1-13-7(6-14)5-8-9(13)3-4-10(15-2)11(8)12;1-2-4-5-3-1/h4-6H,13H2,1-3H3;3-5,14H,6,12H2,1-2H3;1-4H2
InChIKeyBQNPOTDJOUPRKK-UHFFFAOYSA-N
XLogP3.61
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
CID 10404037
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
5-methoxy-1-methyl-2-(trifluoromethyl)indol-4-amine
CID 83488115
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387
methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate
CID 10826326
methyl 1-methyl-4-(trifluoromethyl)indole-2-carboxylate
CID 15550269
methyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate
CID 7302045

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane?
The IUPAC name of (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane (CID 157431033) is (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane.
What is the SMILES notation for (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane?
The canonical SMILES for (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane is C1CCOC1.COC(=O)c1cc2c(N)c(OC)ccc2n1C.COc1ccc2c(cc(CO)n2C)c1N.
What is the InChIKey of (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane?
The InChIKey is BQNPOTDJOUPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C11H14N2O2.C4H8O/c1-14-8-4-5-10(16-2)11(13)7(8)6-9(14)12(15)17-3;1-13-7(6-14)5-8-9(13)3-4-10(15-2)11(8)12;1-2-4-5-3-1/h4-6H,13H2,1-3H3;3-5,14H,6,12H2,1-2H3;1-4H2.
What are the key properties of (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane?
(4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane has a molecular weight of 512.61 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methoxy-1-methylindol-2-yl)methanol;methyl 4-amino-5-methoxy-1-methylindole-2-carboxylate;oxolane is sourced from PubChem (CID 157431033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).