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

C25H32N4O — CID 3068873

IUPAC1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
SMILESCCN(CC)CCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C
InChIInChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30)9-10-21(20)28(5)24(22)16(3)19(23)11-13-27-25/h9-11,13,15,30H,6-8,12,14H2,1-5H3,(H,26,27)
InChIKeyWSMYEMDZCLVLJH-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.35
Rot. Bonds7

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

1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol (PubChem CID 3068873) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
PubChem CID3068873
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol
SMILESCCN(CC)CCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C
InChIInChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30)9-10-21(20)28(5)24(22)16(3)19(23)11-13-27-25/h9-11,13,15,30H,6-8,12,14H2,1-5H3,(H,26,27)
InChIKeyWSMYEMDZCLVLJH-UHFFFAOYSA-N
XLogP5.35
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.35
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-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol (CID 3068873) is 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol is CCN(CC)CCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C.
What is the InChIKey of 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
The InChIKey is WSMYEMDZCLVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30)9-10-21(20)28(5)24(22)16(3)19(23)11-13-27-25/h9-11,13,15,30H,6-8,12,14H2,1-5H3,(H,26,27).
What are the key properties of 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol?
1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol has a molecular weight of 404.56 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propylamino]-5,6,11-trimethylpyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 3068873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).