tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate

C17H18FN3O2 — CID 140943973

IUPACtert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1ncccc12
InChIInChI=1S/C17H18FN3O2/c1-17(2,3)23-16(22)21(4)13-9-10(18)8-12-11-6-5-7-19-15(11)20-14(12)13/h5-9H,1-4H3,(H,19,20)
InChIKeyHPBXZVSZKRNOEI-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.23
Rot. Bonds1

About tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate

tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate (PubChem CID 140943973) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
PubChem CID140943973
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Nametert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1ncccc12
InChIInChI=1S/C17H18FN3O2/c1-17(2,3)23-16(22)21(4)13-9-10(18)8-12-11-6-5-7-19-15(11)20-14(12)13/h5-9H,1-4H3,(H,19,20)
InChIKeyHPBXZVSZKRNOEI-UHFFFAOYSA-N
XLogP4.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate (CID 140943973) is tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1ncccc12.
What is the InChIKey of tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate?
The InChIKey is HPBXZVSZKRNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-17(2,3)23-16(22)21(4)13-9-10(18)8-12-11-6-5-7-19-15(11)20-14(12)13/h5-9H,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate?
tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate has a molecular weight of 315.35 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate is sourced from PubChem (CID 140943973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).