3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C24H29N3O2 — CID 67127731

IUPAC3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12,25H2,1-4H3
InChIKeyFEMGQTNLOZSHAM-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.34
Rot. Bonds6

About 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 67127731) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID67127731
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12,25H2,1-4H3
InChIKeyFEMGQTNLOZSHAM-UHFFFAOYSA-N
XLogP4.34
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 67127731) is 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O.
What is the InChIKey of 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is FEMGQTNLOZSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-27(6-2)11-12-29-16-8-10-17-19(14-16)24(3,4)23-21(22(17)28)18-9-7-15(25)13-20(18)26-23/h7-10,13-14,26H,5-6,11-12,25H2,1-4H3.
What are the key properties of 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 391.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 67127731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).