1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol

C23H28N4O — CID 3068875

IUPAC1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
SMILESCc1c2c(NCCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C
InChIInChI=1S/C23H28N4O/c1-14-17-9-11-25-23(24-10-6-12-26(3)4)21(17)15(2)20-18-13-16(28)7-8-19(18)27(5)22(14)20/h7-9,11,13,28H,6,10,12H2,1-5H3,(H,24,25)
InChIKeyHAXZJVNGSUXYCM-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.57
Rot. Bonds5

About 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol

1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol (PubChem CID 3068875) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
PubChem CID3068875
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
SMILESCc1c2c(NCCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C
InChIInChI=1S/C23H28N4O/c1-14-17-9-11-25-23(24-10-6-12-26(3)4)21(17)15(2)20-18-13-16(28)7-8-19(18)27(5)22(14)20/h7-9,11,13,28H,6,10,12H2,1-5H3,(H,24,25)
InChIKeyHAXZJVNGSUXYCM-UHFFFAOYSA-N
XLogP4.57
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol (CID 3068875) is 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol is Cc1c2c(NCCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C.
What is the InChIKey of 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The InChIKey is HAXZJVNGSUXYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-14-17-9-11-25-23(24-10-6-12-26(3)4)21(17)15(2)20-18-13-16(28)7-8-19(18)27(5)22(14)20/h7-9,11,13,28H,6,10,12H2,1-5H3,(H,24,25).
What are the key properties of 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol has a molecular weight of 376.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 3068875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).