tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate

C17H21FN2O3 — CID 170621351

IUPACtert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate
SMILESCOc1cc2c3c([nH]c2cc1F)CCCN3C(=O)OC(C)(C)C
InChIInChI=1S/C17H21FN2O3/c1-17(2,3)23-16(21)20-7-5-6-12-15(20)10-8-14(22-4)11(18)9-13(10)19-12/h8-9,19H,5-7H2,1-4H3
InChIKeyVOSYLJKMXCCGDB-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.00
Rot. Bonds1

About tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate

tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate (PubChem CID 170621351) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate
PubChem CID170621351
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Nametert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate
SMILESCOc1cc2c3c([nH]c2cc1F)CCCN3C(=O)OC(C)(C)C
InChIInChI=1S/C17H21FN2O3/c1-17(2,3)23-16(21)20-7-5-6-12-15(20)10-8-14(22-4)11(18)9-13(10)19-12/h8-9,19H,5-7H2,1-4H3
InChIKeyVOSYLJKMXCCGDB-UHFFFAOYSA-N
XLogP4.00
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate?
The IUPAC name of tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate (CID 170621351) is tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate?
The canonical SMILES for tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate is COc1cc2c3c([nH]c2cc1F)CCCN3C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate?
The InChIKey is VOSYLJKMXCCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-17(2,3)23-16(21)20-7-5-6-12-15(20)10-8-14(22-4)11(18)9-13(10)19-12/h8-9,19H,5-7H2,1-4H3.
What are the key properties of tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate?
tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate has a molecular weight of 320.36 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-fluoro-8-methoxy-2,3,4,5-tetrahydropyrido[3,2-b]indole-1-carboxylate is sourced from PubChem (CID 170621351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).