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

C21H24N4O — CID 11175481

IUPACN'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
SMILESCOc1ccc2[nH]c3c(C)c4ccnc(NCCCN)c4c(C)c3c2c1
InChIInChI=1S/C21H24N4O/c1-12-15-7-10-24-21(23-9-4-8-22)19(15)13(2)18-16-11-14(26-3)5-6-17(16)25-20(12)18/h5-7,10-11,25H,4,8-9,22H2,1-3H3,(H,23,24)
InChIKeyLZXFTRLKBYMANY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.26
Rot. Bonds5

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

N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine (PubChem CID 11175481) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
PubChem CID11175481
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
SMILESCOc1ccc2[nH]c3c(C)c4ccnc(NCCCN)c4c(C)c3c2c1
InChIInChI=1S/C21H24N4O/c1-12-15-7-10-24-21(23-9-4-8-22)19(15)13(2)18-16-11-14(26-3)5-6-17(16)25-20(12)18/h5-7,10-11,25H,4,8-9,22H2,1-3H3,(H,23,24)
InChIKeyLZXFTRLKBYMANY-UHFFFAOYSA-N
XLogP4.26
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.26
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'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The IUPAC name of N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine (CID 11175481) is 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'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The canonical SMILES for N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine is COc1ccc2[nH]c3c(C)c4ccnc(NCCCN)c4c(C)c3c2c1.
What is the InChIKey of N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
The InChIKey is LZXFTRLKBYMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-12-15-7-10-24-21(23-9-4-8-22)19(15)13(2)18-16-11-14(26-3)5-6-17(16)25-20(12)18/h5-7,10-11,25H,4,8-9,22H2,1-3H3,(H,23,24).
What are the key properties of N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine?
N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine is sourced from PubChem (CID 11175481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).