N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine

C24H31N4O+ — CID 123481535

IUPACN',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1cc[nH+]c2c(C)c3[nH]c4ccc(OC)cc4c3cc12
InChIInChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-21-10-12-26-23-16(3)24-19(15-20(21)23)18-14-17(29-4)8-9-22(18)27-24/h8-10,12,14-15,27H,5-7,11,13H2,1-4H3,(H,25,26)/p+1
InChIKeyPDJQBFWGQNINQB-UHFFFAOYSA-O
MW391.54 g/mol
LogP4.75
Rot. Bonds8

About N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine

N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine (PubChem CID 123481535) has the molecular formula C24H31N4O+ and a molecular weight of 391.54 g/mol. Its IUPAC name is N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine
PubChem CID123481535
Molecular FormulaC24H31N4O+
Molecular Weight391.54 g/mol
Exact Mass391.25
IUPAC NameN',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1cc[nH+]c2c(C)c3[nH]c4ccc(OC)cc4c3cc12
InChIInChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-21-10-12-26-23-16(3)24-19(15-20(21)23)18-14-17(29-4)8-9-22(18)27-24/h8-10,12,14-15,27H,5-7,11,13H2,1-4H3,(H,25,26)/p+1
InChIKeyPDJQBFWGQNINQB-UHFFFAOYSA-O
XLogP4.75
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
1-N,1-N-diethyl-4-N-(9-hydroperoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine;hydrate
CID 90475800
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
9-methoxy-N,5-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 70887380
N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 57412102
N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine
CID 68563740
N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid
CID 24769161
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
CID 3047245
N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide
CID 18982851

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine (CID 123481535) is N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine is CCN(CC)CCCNc1cc[nH+]c2c(C)c3[nH]c4ccc(OC)cc4c3cc12.
What is the InChIKey of N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine?
The InChIKey is PDJQBFWGQNINQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-21-10-12-26-23-16(3)24-19(15-20(21)23)18-14-17(29-4)8-9-22(18)27-24/h8-10,12,14-15,27H,5-7,11,13H2,1-4H3,(H,25,26)/p+1.
What are the key properties of N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine has a molecular weight of 391.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine is sourced from PubChem (CID 123481535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).