[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate

C24H26N4O3 — CID 10502131

IUPAC[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate
SMILESCC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C
InChIInChI=1S/C24H26N4O3/c1-14-17-8-9-25-22(24(30)26-10-11-27(3)4)19(17)13-20-18-12-16(31-15(2)29)6-7-21(18)28(5)23(14)20/h6-9,12-13H,10-11H2,1-5H3,(H,26,30)
InChIKeyJRUJYMRLANXJNF-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.40
Rot. Bonds5

About [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate

[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate (PubChem CID 10502131) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate
PubChem CID10502131
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate
SMILESCC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C
InChIInChI=1S/C24H26N4O3/c1-14-17-8-9-25-22(24(30)26-10-11-27(3)4)19(17)13-20-18-12-16(31-15(2)29)6-7-21(18)28(5)23(14)20/h6-9,12-13H,10-11H2,1-5H3,(H,26,30)
InChIKeyJRUJYMRLANXJNF-UHFFFAOYSA-N
XLogP3.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate?
The IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate (CID 10502131) is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate.
What is the SMILES notation for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate?
The canonical SMILES for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate is CC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C.
What is the InChIKey of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate?
The InChIKey is JRUJYMRLANXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-17-8-9-25-22(24(30)26-10-11-27(3)4)19(17)13-20-18-12-16(31-15(2)29)6-7-21(18)28(5)23(14)20/h6-9,12-13H,10-11H2,1-5H3,(H,26,30).
What are the key properties of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate?
[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate has a molecular weight of 418.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] acetate is sourced from PubChem (CID 10502131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).