N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine

C23H28N4O — CID 3068869

IUPACN-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
SMILESCCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12
InChIInChI=1S/C23H28N4O/c1-5-24-10-6-11-25-23-21-15(3)20-18-13-16(28-4)7-8-19(18)27-22(20)14(2)17(21)9-12-26-23/h7-9,12-13,24,27H,5-6,10-11H2,1-4H3,(H,25,26)
InChIKeyVIWUDYABBPMENV-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.91
Rot. Bonds7

About N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine

N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine (PubChem CID 3068869) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
PubChem CID3068869
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
SMILESCCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12
InChIInChI=1S/C23H28N4O/c1-5-24-10-6-11-25-23-21-15(3)20-18-13-16(28-4)7-8-19(18)27-22(20)14(2)17(21)9-12-26-23/h7-9,12-13,24,27H,5-6,10-11H2,1-4H3,(H,25,26)
InChIKeyVIWUDYABBPMENV-UHFFFAOYSA-N
XLogP4.91
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine (CID 3068869) is N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine is CCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.
What is the InChIKey of N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The InChIKey is VIWUDYABBPMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-5-24-10-6-11-25-23-21-15(3)20-18-13-16(28-4)7-8-19(18)27-22(20)14(2)17(21)9-12-26-23/h7-9,12-13,24,27H,5-6,10-11H2,1-4H3,(H,25,26).
What are the key properties of N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine has a molecular weight of 376.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine is sourced from PubChem (CID 3068869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).