1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol

C18H16N2O2 — CID 71509562

IUPAC1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
SMILESCc1c2ccnc(CO)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C18H16N2O2/c1-10-12-5-6-19-16(9-21)13(12)8-15-14-7-11(22)3-4-17(14)20(2)18(10)15/h3-8,21-22H,9H2,1-2H3
InChIKeyCLRNDLVDVPMNGS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.39
Rot. Bonds1

About 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol

1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol (PubChem CID 71509562) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
PubChem CID71509562
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
SMILESCc1c2ccnc(CO)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C18H16N2O2/c1-10-12-5-6-19-16(9-21)13(12)8-15-14-7-11(22)3-4-17(14)20(2)18(10)15/h3-8,21-22H,9H2,1-2H3
InChIKeyCLRNDLVDVPMNGS-UHFFFAOYSA-N
XLogP3.39
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol (CID 71509562) is 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol is Cc1c2ccnc(CO)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
The InChIKey is CLRNDLVDVPMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-10-12-5-6-19-16(9-21)13(12)8-15-14-7-11(22)3-4-17(14)20(2)18(10)15/h3-8,21-22H,9H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol has a molecular weight of 292.34 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-5,6-dimethylpyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 71509562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).