3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine

C22H25N3O — CID 162755230

IUPAC3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCc1c2ccncc2cc2c3cccc(OCCCN(C)C)c3n(C)c12
InChIInChI=1S/C22H25N3O/c1-15-17-9-10-23-14-16(17)13-19-18-7-5-8-20(22(18)25(4)21(15)19)26-12-6-11-24(2)3/h5,7-10,13-14H,6,11-12H2,1-4H3
InChIKeyRTKWSIGYIWPILS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.52
Rot. Bonds5

About 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine

3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 162755230) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine
PubChem CID162755230
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCc1c2ccncc2cc2c3cccc(OCCCN(C)C)c3n(C)c12
InChIInChI=1S/C22H25N3O/c1-15-17-9-10-23-14-16(17)13-19-18-7-5-8-20(22(18)25(4)21(15)19)26-12-6-11-24(2)3/h5,7-10,13-14H,6,11-12H2,1-4H3
InChIKeyRTKWSIGYIWPILS-UHFFFAOYSA-N
XLogP4.52
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine
CID 162754870
8-fluoro-5,6-dimethyl-9-(2-piperidin-1-ylethoxy)pyrido[4,3-b]carbazole
CID 162755003
N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
CID 162755144
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
N,N,5,6-tetramethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755125
(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
2-[1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 166986426
N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162754842
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine (CID 162755230) is 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine is Cc1c2ccncc2cc2c3cccc(OCCCN(C)C)c3n(C)c12.
What is the InChIKey of 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is RTKWSIGYIWPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-17-9-10-23-14-16(17)13-19-18-7-5-8-20(22(18)25(4)21(15)19)26-12-6-11-24(2)3/h5,7-10,13-14H,6,11-12H2,1-4H3.
What are the key properties of 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine?
3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 162755230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).