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

C23H28N4O — CID 3068874

IUPAC1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
SMILESCCNCCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C
InChIInChI=1S/C23H28N4O/c1-5-24-10-6-11-25-23-21-15(3)20-18-13-16(28)7-8-19(18)27(4)22(20)14(2)17(21)9-12-26-23/h7-9,12-13,24,28H,5-6,10-11H2,1-4H3,(H,25,26)
InChIKeyIIKWVXMURNUUFB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.61
Rot. Bonds6

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

1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol (PubChem CID 3068874) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
PubChem CID3068874
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
SMILESCCNCCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C
InChIInChI=1S/C23H28N4O/c1-5-24-10-6-11-25-23-21-15(3)20-18-13-16(28)7-8-19(18)27(4)22(20)14(2)17(21)9-12-26-23/h7-9,12-13,24,28H,5-6,10-11H2,1-4H3,(H,25,26)
InChIKeyIIKWVXMURNUUFB-UHFFFAOYSA-N
XLogP4.61
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.61
H-Bond Donors ≤ 53
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-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol (CID 3068874) is 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol is CCNCCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C.
What is the InChIKey of 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The InChIKey is IIKWVXMURNUUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-5-24-10-6-11-25-23-21-15(3)20-18-13-16(28)7-8-19(18)27(4)22(20)14(2)17(21)9-12-26-23/h7-9,12-13,24,28H,5-6,10-11H2,1-4H3,(H,25,26).
What are the key properties of 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol has a molecular weight of 376.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 3068874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).