2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate

C19H22N2O4 — CID 18963807

IUPAC2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOCCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C
InChIInChI=1S/C19H22N2O4/c1-11(2)25-15-7-5-6-13-17(15)16-12(3)18(20-10-14(16)21-13)19(22)24-9-8-23-4/h5-7,10-11,21H,8-9H2,1-4H3
InChIKeyCQTBDUULYFXKHB-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.61
Rot. Bonds6

About 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate

2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 18963807) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID18963807
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOCCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C
InChIInChI=1S/C19H22N2O4/c1-11(2)25-15-7-5-6-13-17(15)16-12(3)18(20-10-14(16)21-13)19(22)24-9-8-23-4/h5-7,10-11,21H,8-9H2,1-4H3
InChIKeyCQTBDUULYFXKHB-UHFFFAOYSA-N
XLogP3.61
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

propan-2-yl 4-(methoxymethyl)-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138888
ethyl 5-[(2-chlorophenyl)methoxy]-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54295583
ethyl 5-[(4-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392780
ethyl 5-cyclobutyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14456193
propan-2-yl 4-(methoxymethyl)-5-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54216996
ethyl 5-(cyclohexylmethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14456197
ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
ethyl 6,7-dimethoxy-4-(2-methoxyethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54083222
propan-2-yl 5-[(3-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54499401
ethyl 4-(methoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392789
ethyl 5-(dipropylamino)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138883
4-(methoxymethyl)-5-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039441

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate (CID 18963807) is 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate is COCCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C.
What is the InChIKey of 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is CQTBDUULYFXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11(2)25-15-7-5-6-13-17(15)16-12(3)18(20-10-14(16)21-13)19(22)24-9-8-23-4/h5-7,10-11,21H,8-9H2,1-4H3.
What are the key properties of 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate?
2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 18963807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).