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

C22H26N4O — CID 3068868

IUPACN-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
SMILESCCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12
InChIInChI=1S/C22H26N4O/c1-4-23-9-5-10-24-22-19-13-18-17-12-15(27-3)6-7-20(17)26-21(18)14(2)16(19)8-11-25-22/h6-8,11-13,23,26H,4-5,9-10H2,1-3H3,(H,24,25)
InChIKeyAKOGJMHJWZXZDH-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.60
Rot. Bonds7

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

N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine (PubChem CID 3068868) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
PubChem CID3068868
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
SMILESCCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12
InChIInChI=1S/C22H26N4O/c1-4-23-9-5-10-24-22-19-13-18-17-12-15(27-3)6-7-20(17)26-21(18)14(2)16(19)8-11-25-22/h6-8,11-13,23,26H,4-5,9-10H2,1-3H3,(H,24,25)
InChIKeyAKOGJMHJWZXZDH-UHFFFAOYSA-N
XLogP4.60
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.60
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-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine (CID 3068868) is N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine is CCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12.
What is the InChIKey of N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The InChIKey is AKOGJMHJWZXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-23-9-5-10-24-22-19-13-18-17-12-15(27-3)6-7-20(17)26-21(18)14(2)16(19)8-11-25-22/h6-8,11-13,23,26H,4-5,9-10H2,1-3H3,(H,24,25).
What are the key properties of N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.60, 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-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine is sourced from PubChem (CID 3068868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).