10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane

C20H25N3O — CID 142921768

IUPAC10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane
SMILESCC.CC.CN(C)c1ccc2[nH]nc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C16H13N3O.2C2H6/c1-19(2)12-8-7-11-13-14(12)16(20)10-6-4-3-5-9(10)15(13)18-17-11;2*1-2/h3-8H,1-2H3,(H,17,18);2*1-2H3
InChIKeyLJHMGFVEBQBGPW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.89
Rot. Bonds1

About 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane

10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane (PubChem CID 142921768) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane.

Molecular Properties

Compound Name10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane
PubChem CID142921768
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane
SMILESCC.CC.CN(C)c1ccc2[nH]nc3c2c1C(=O)c1ccccc1-3
InChIInChI=1S/C16H13N3O.2C2H6/c1-19(2)12-8-7-11-13-14(12)16(20)10-6-4-3-5-9(10)15(13)18-17-11;2*1-2/h3-8H,1-2H3,(H,17,18);2*1-2H3
InChIKeyLJHMGFVEBQBGPW-UHFFFAOYSA-N
XLogP4.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane with MolForge

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Related Compounds

10-amino-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
CID 5344961
1-chloro-4-(dimethylamino)anthracene-9,10-dione
CID 14225856
1-(dimethylamino)-4-methoxyanthracene-9,10-dione
CID 12750463
6-(methoxyamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
CID 142045104
1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione
CID 15194752
1,4-bis(N-methylanilino)anthracene-9,10-dione
CID 101406322
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
1,5-dibromo-4-(dimethylamino)anthracene-9,10-dione
CID 70563068
2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione
CID 118210754
3-iodo-4-methylbenzo[g]quinoline-5,10-dione
CID 46918599
N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide
CID 88688399
3-(2-hydroxyphenyl)-1H-indazole-4-carbaldehyde
CID 136917935

Frequently Asked Questions

What is the IUPAC name of 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane?
The IUPAC name of 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane (CID 142921768) is 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane.
What is the SMILES notation for 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane?
The canonical SMILES for 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane is CC.CC.CN(C)c1ccc2[nH]nc3c2c1C(=O)c1ccccc1-3.
What is the InChIKey of 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane?
The InChIKey is LJHMGFVEBQBGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O.2C2H6/c1-19(2)12-8-7-11-13-14(12)16(20)10-6-4-3-5-9(10)15(13)18-17-11;2*1-2/h3-8H,1-2H3,(H,17,18);2*1-2H3.
What are the key properties of 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane?
10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane has a molecular weight of 323.44 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dimethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;ethane is sourced from PubChem (CID 142921768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).