6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione

C24H21N3O3 — CID 15435319

IUPAC6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione
SMILESCC(=O)c1ccc2c(ccc3c2c2cccc4c(=O)n(CCN(C)C)c(=O)n3c42)c1
InChIInChI=1S/C24H21N3O3/c1-14(28)15-7-9-17-16(13-15)8-10-20-21(17)18-5-4-6-19-22(18)27(20)24(30)26(23(19)29)12-11-25(2)3/h4-10,13H,11-12H2,1-3H3
InChIKeyRQRURZCAKFHIDS-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.12
Rot. Bonds4

About 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione

6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione (PubChem CID 15435319) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione.

Molecular Properties

Compound Name6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione
PubChem CID15435319
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione
SMILESCC(=O)c1ccc2c(ccc3c2c2cccc4c(=O)n(CCN(C)C)c(=O)n3c42)c1
InChIInChI=1S/C24H21N3O3/c1-14(28)15-7-9-17-16(13-15)8-10-20-21(17)18-5-4-6-19-22(18)27(20)24(30)26(23(19)29)12-11-25(2)3/h4-10,13H,11-12H2,1-3H3
InChIKeyRQRURZCAKFHIDS-UHFFFAOYSA-N
XLogP3.12
TPSA63.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione?
The IUPAC name of 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione (CID 15435319) is 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione.
What is the SMILES notation for 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione?
The canonical SMILES for 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione is CC(=O)c1ccc2c(ccc3c2c2cccc4c(=O)n(CCN(C)C)c(=O)n3c42)c1.
What is the InChIKey of 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione?
The InChIKey is RQRURZCAKFHIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-14(28)15-7-9-17-16(13-15)8-10-20-21(17)18-5-4-6-19-22(18)27(20)24(30)26(23(19)29)12-11-25(2)3/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione?
6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione has a molecular weight of 399.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-14-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),4,6,9,16,18-octaene-13,15-dione is sourced from PubChem (CID 15435319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).