[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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Related Compounds

CID 362973
CID 362973
CID 177330
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CID 425818
CID 425818
CID 13074411
CID 13074411
CID 9908441
CID 9908441
CID 11750460
CID 11750460
CID 122600573
CID 122600573
CID 16739288
CID 16739288
CID 2809798
CID 2809798
CID 10320152
CID 10320152
CID 3038508
CID 3038508
CID 9827468
CID 9827468

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).