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

C30H30N4O3 — CID 10553254

IUPAC[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)Cc4ccccc4)ccc3n(C)c12
InChIInChI=1S/C30H30N4O3/c1-19-22-12-13-31-28(30(36)32-14-15-33(2)3)24(22)18-25-23-17-21(10-11-26(23)34(4)29(19)25)37-27(35)16-20-8-6-5-7-9-20/h5-13,17-18H,14-16H2,1-4H3,(H,32,36)
InChIKeySONNJBMVVVOHQN-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.63
Rot. Bonds7

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

[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate (PubChem CID 10553254) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate
PubChem CID10553254
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)Cc4ccccc4)ccc3n(C)c12
InChIInChI=1S/C30H30N4O3/c1-19-22-12-13-31-28(30(36)32-14-15-33(2)3)24(22)18-25-23-17-21(10-11-26(23)34(4)29(19)25)37-27(35)16-20-8-6-5-7-9-20/h5-13,17-18H,14-16H2,1-4H3,(H,32,36)
InChIKeySONNJBMVVVOHQN-UHFFFAOYSA-N
XLogP4.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.63
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] 2-phenylacetate?
The IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate (CID 10553254) is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate.
What is the SMILES notation for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate?
The canonical SMILES for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate is Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)Cc4ccccc4)ccc3n(C)c12.
What is the InChIKey of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate?
The InChIKey is SONNJBMVVVOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-19-22-12-13-31-28(30(36)32-14-15-33(2)3)24(22)18-25-23-17-21(10-11-26(23)34(4)29(19)25)37-27(35)16-20-8-6-5-7-9-20/h5-13,17-18H,14-16H2,1-4H3,(H,32,36).
What are the key properties of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate?
[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 2-phenylacetate has a molecular weight of 494.60 g/mol, XLogP of 4.63, 7 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] 2-phenylacetate is sourced from PubChem (CID 10553254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).