3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione

C19H19N3O2 — CID 11291279

IUPAC3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione
SMILESCc1ccc2c(c1)c1cccc3c(=O)n(CCN(C)C)c(=O)n2c31
InChIInChI=1S/C19H19N3O2/c1-12-7-8-16-15(11-12)13-5-4-6-14-17(13)22(16)19(24)21(18(14)23)10-9-20(2)3/h4-8,11H,9-10H2,1-3H3
InChIKeyKCUYZZOKZQHYEX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.08
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione

3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione (PubChem CID 11291279) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione
PubChem CID11291279
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione
SMILESCc1ccc2c(c1)c1cccc3c(=O)n(CCN(C)C)c(=O)n2c31
InChIInChI=1S/C19H19N3O2/c1-12-7-8-16-15(11-12)13-5-4-6-14-17(13)22(16)19(24)21(18(14)23)10-9-20(2)3/h4-8,11H,9-10H2,1-3H3
InChIKeyKCUYZZOKZQHYEX-UHFFFAOYSA-N
XLogP2.08
TPSA46.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione with MolForge

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Related Compounds

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CID 15435319
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
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CID 11134286
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione (CID 11291279) is 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione is Cc1ccc2c(c1)c1cccc3c(=O)n(CCN(C)C)c(=O)n2c31.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione?
The InChIKey is KCUYZZOKZQHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-7-8-16-15(11-12)13-5-4-6-14-17(13)22(16)19(24)21(18(14)23)10-9-20(2)3/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione?
3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-12-methyl-1,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene-2,4-dione is sourced from PubChem (CID 11291279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).