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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Related Compounds

CID 91643
CID 91643
CID 42722
CID 42722
CID 42723
CID 42723
CID 130936
CID 130936
CID 9816234
CID 9816234
CID 72034
CID 72034
CID 130857
CID 130857
CID 44411876
CID 44411876
CID 44439943
CID 44439943
CID 72035
CID 72035
CID 97260
CID 97260
CID 125770
CID 125770

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).