1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone

C22H26N2O4 — CID 91257828

IUPAC1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone
SMILESCOc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(O)cc1n2CCCN(C)C
InChIInChI=1S/C22H26N2O4/c1-13(25)15-9-17-18-10-16(14(2)26)22(28-5)12-20(18)24(8-6-7-23(3)4)19(17)11-21(15)27/h9-12,27H,6-8H2,1-5H3
InChIKeyYAKSDFXGZLZQMS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.87
Rot. Bonds7

About 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone

1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone (PubChem CID 91257828) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone
PubChem CID91257828
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone
SMILESCOc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(O)cc1n2CCCN(C)C
InChIInChI=1S/C22H26N2O4/c1-13(25)15-9-17-18-10-16(14(2)26)22(28-5)12-20(18)24(8-6-7-23(3)4)19(17)11-21(15)27/h9-12,27H,6-8H2,1-5H3
InChIKeyYAKSDFXGZLZQMS-UHFFFAOYSA-N
XLogP3.87
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone?
The IUPAC name of 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone (CID 91257828) is 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone is COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(O)cc1n2CCCN(C)C.
What is the InChIKey of 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone?
The InChIKey is YAKSDFXGZLZQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-13(25)15-9-17-18-10-16(14(2)26)22(28-5)12-20(18)24(8-6-7-23(3)4)19(17)11-21(15)27/h9-12,27H,6-8H2,1-5H3.
What are the key properties of 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone?
1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-9-[3-(dimethylamino)propyl]-2-hydroxy-7-methoxycarbazol-3-yl]ethanone is sourced from PubChem (CID 91257828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).