2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol

C21H25N3O — CID 141148291

IUPAC2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol
SMILESCc1c2c(cc3c4cc(O)ccc4n(C)c13)CN(CCN(C)C)C=C2
InChIInChI=1S/C21H25N3O/c1-14-17-7-8-24(10-9-22(2)3)13-15(17)11-19-18-12-16(25)5-6-20(18)23(4)21(14)19/h5-8,11-12,25H,9-10,13H2,1-4H3
InChIKeyLJOUUODFMGEAFU-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.69
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol

2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol (PubChem CID 141148291) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol
PubChem CID141148291
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol
SMILESCc1c2c(cc3c4cc(O)ccc4n(C)c13)CN(CCN(C)C)C=C2
InChIInChI=1S/C21H25N3O/c1-14-17-7-8-24(10-9-22(2)3)13-15(17)11-19-18-12-16(25)5-6-20(18)23(4)21(14)19/h5-8,11-12,25H,9-10,13H2,1-4H3
InChIKeyLJOUUODFMGEAFU-UHFFFAOYSA-N
XLogP3.69
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol (CID 141148291) is 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol is Cc1c2c(cc3c4cc(O)ccc4n(C)c13)CN(CCN(C)C)C=C2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol?
The InChIKey is LJOUUODFMGEAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-17-7-8-24(10-9-22(2)3)13-15(17)11-19-18-12-16(25)5-6-20(18)23(4)21(14)19/h5-8,11-12,25H,9-10,13H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol?
2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol has a molecular weight of 335.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 141148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).