tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate

C20H24N2O4 — CID 137356613

IUPACtert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate
SMILESCCCc1nccc2c1c1cc(OC)c(O)cc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C20H24N2O4/c1-6-7-13-18-12-10-17(25-5)16(23)11-15(12)22(14(18)8-9-21-13)19(24)26-20(2,3)4/h8-11,23H,6-7H2,1-5H3
InChIKeyLRONQENLRYNAHF-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate

tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate (PubChem CID 137356613) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate
PubChem CID137356613
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate
SMILESCCCc1nccc2c1c1cc(OC)c(O)cc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C20H24N2O4/c1-6-7-13-18-12-10-17(25-5)16(23)11-15(12)22(14(18)8-9-21-13)19(24)26-20(2,3)4/h8-11,23H,6-7H2,1-5H3
InChIKeyLRONQENLRYNAHF-UHFFFAOYSA-N
XLogP4.64
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 7-hydroxy-8-methoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyrido[4,3-b]indole-5-carboxylate
CID 137356281
tert-butyl 8-methoxy-1-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)pyrido[4,3-b]indole-5-carboxylate
CID 137356596
tert-butyl N-[(6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
CID 141101320
tert-butyl 3-hexylpyrido[3,4-b]indole-9-carboxylate
CID 135059896
tert-butyl 3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-iodopyrazolo[4,3-c]pyridin-1-yl]azetidine-1-carboxylate
CID 142749837
tert-butyl 1-but-3-enyl-3,4-dipropylpyrido[3,4-b]indole-9-carboxylate
CID 53467884
4-methoxy-3-methyl-2-propylpyridine
CID 89037214
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate
CID 144913835
9-O-tert-butyl 2-O,3-O-dimethyl (2R,3R)-5-methoxy-1,2,3,4-tetrahydrocarbazole-2,3,9-tricarboxylate
CID 102186173
ditert-butyl 7,8-dimethoxy-1,5-dioxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate
CID 170859961
tert-butyl 2-methoxy-10-propyl-8-tri(propan-2-yl)silyloxy-7,10-dihydro-6H-cyclohepta[b]indole-5-carboxylate
CID 102105820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate?
The IUPAC name of tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate (CID 137356613) is tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate.
What is the SMILES notation for tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate?
The canonical SMILES for tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate is CCCc1nccc2c1c1cc(OC)c(O)cc1n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate?
The InChIKey is LRONQENLRYNAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-6-7-13-18-12-10-17(25-5)16(23)11-15(12)22(14(18)8-9-21-13)19(24)26-20(2,3)4/h8-11,23H,6-7H2,1-5H3.
What are the key properties of tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate?
tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-hydroxy-8-methoxy-1-propylpyrido[4,3-b]indole-5-carboxylate is sourced from PubChem (CID 137356613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).