tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate

C22H23N3O2 — CID 11824574

IUPACtert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate
SMILESC=C1c2cnccc2C(C)(NC(=O)OC(C)(C)C)c2[nH]c3ccccc3c21
InChIInChI=1S/C22H23N3O2/c1-13-15-12-23-11-10-16(15)22(5,25-20(26)27-21(2,3)4)19-18(13)14-8-6-7-9-17(14)24-19/h6-12,24H,1H2,2-5H3,(H,25,26)
InChIKeyZLYXTTKYNHDYCX-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.73
Rot. Bonds1

About tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate

tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate (PubChem CID 11824574) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate
PubChem CID11824574
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Nametert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate
SMILESC=C1c2cnccc2C(C)(NC(=O)OC(C)(C)C)c2[nH]c3ccccc3c21
InChIInChI=1S/C22H23N3O2/c1-13-15-12-23-11-10-16(15)22(5,25-20(26)27-21(2,3)4)19-18(13)14-8-6-7-9-17(14)24-19/h6-12,24H,1H2,2-5H3,(H,25,26)
InChIKeyZLYXTTKYNHDYCX-UHFFFAOYSA-N
XLogP4.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate (CID 11824574) is tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate is C=C1c2cnccc2C(C)(NC(=O)OC(C)(C)C)c2[nH]c3ccccc3c21.
What is the InChIKey of tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate?
The InChIKey is ZLYXTTKYNHDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13-15-12-23-11-10-16(15)22(5,25-20(26)27-21(2,3)4)19-18(13)14-8-6-7-9-17(14)24-19/h6-12,24H,1H2,2-5H3,(H,25,26).
What are the key properties of tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate?
tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate has a molecular weight of 361.45 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methyl-11-methylidene-6H-pyrido[4,3-b]carbazol-5-yl)carbamate is sourced from PubChem (CID 11824574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).