2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine

C21H22FN3O — CID 162754870

IUPAC2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine
SMILESCc1c2ccncc2cc2c3cc(OCCN(C)C)cc(F)c3n(C)c12
InChIInChI=1S/C21H22FN3O/c1-13-16-5-6-23-12-14(16)9-17-18-10-15(26-8-7-24(2)3)11-19(22)21(18)25(4)20(13)17/h5-6,9-12H,7-8H2,1-4H3
InChIKeyBJVMOGDVKGHUMJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.27
Rot. Bonds4

About 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine

2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine (PubChem CID 162754870) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine
PubChem CID162754870
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine
SMILESCc1c2ccncc2cc2c3cc(OCCN(C)C)cc(F)c3n(C)c12
InChIInChI=1S/C21H22FN3O/c1-13-16-5-6-23-12-14(16)9-17-18-10-15(26-8-7-24(2)3)11-19(22)21(18)25(4)20(13)17/h5-6,9-12H,7-8H2,1-4H3
InChIKeyBJVMOGDVKGHUMJ-UHFFFAOYSA-N
XLogP4.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754982
3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 162755230
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
9-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162755280
9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754930
8-fluoro-5,6-dimethyl-9-(2-piperidin-1-ylethoxy)pyrido[4,3-b]carbazole
CID 162755003
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
CID 162754821
4-[2-(5,6-dimethylpyrido[4,3-b]carbazol-8-yl)oxyethyl]morpholine
CID 162755206
4-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypyridin-2-amine
CID 162755193
N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
CID 166986452
N,N,5,6-tetramethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755125
2-[(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 162755196

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine (CID 162754870) is 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine is Cc1c2ccncc2cc2c3cc(OCCN(C)C)cc(F)c3n(C)c12.
What is the InChIKey of 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine?
The InChIKey is BJVMOGDVKGHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-13-16-5-6-23-12-14(16)9-17-18-10-15(26-8-7-24(2)3)11-19(22)21(18)25(4)20(13)17/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine?
2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine has a molecular weight of 351.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 162754870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).