(5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate

C24H18N2O3 — CID 13074411

IUPAC(5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate
SMILESCc1c2cc[nH]c(=O)c2c(C)c2c1[nH]c1ccc(OC(=O)c3ccccc3)cc12
InChIInChI=1S/C24H18N2O3/c1-13-17-10-11-25-23(27)21(17)14(2)20-18-12-16(8-9-19(18)26-22(13)20)29-24(28)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,25,27)
InChIKeyBPGBAEXPBQHBSV-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.00
Rot. Bonds2

About (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate

(5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate (PubChem CID 13074411) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate.

Molecular Properties

Compound Name(5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate
PubChem CID13074411
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name(5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate
SMILESCc1c2cc[nH]c(=O)c2c(C)c2c1[nH]c1ccc(OC(=O)c3ccccc3)cc12
InChIInChI=1S/C24H18N2O3/c1-13-17-10-11-25-23(27)21(17)14(2)20-18-12-16(8-9-19(18)26-22(13)20)29-24(28)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,25,27)
InChIKeyBPGBAEXPBQHBSV-UHFFFAOYSA-N
XLogP5.00
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate?
The IUPAC name of (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate (CID 13074411) is (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate.
What is the SMILES notation for (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate?
The canonical SMILES for (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate is Cc1c2cc[nH]c(=O)c2c(C)c2c1[nH]c1ccc(OC(=O)c3ccccc3)cc12.
What is the InChIKey of (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate?
The InChIKey is BPGBAEXPBQHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-13-17-10-11-25-23(27)21(17)14(2)20-18-12-16(8-9-19(18)26-22(13)20)29-24(28)15-6-4-3-5-7-15/h3-12,26H,1-2H3,(H,25,27).
What are the key properties of (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate?
(5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate has a molecular weight of 382.42 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,11-dimethyl-1-oxo-2,6-dihydropyrido[4,3-b]carbazol-9-yl) benzoate is sourced from PubChem (CID 13074411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).