15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione

C20H18N2O3 — CID 135412904

IUPAC15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione
SMILESCN(C)CCn1c(O)c2cccc3c2c(c1=O)-c1ccccc1C3=O
InChIInChI=1S/C20H18N2O3/c1-21(2)10-11-22-19(24)15-9-5-8-14-16(15)17(20(22)25)12-6-3-4-7-13(12)18(14)23/h3-9,24H,10-11H2,1-2H3
InChIKeyJXZDIKDWMRGFMK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.48
Rot. Bonds3

About 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione

15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione (PubChem CID 135412904) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione
PubChem CID135412904
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione
SMILESCN(C)CCn1c(O)c2cccc3c2c(c1=O)-c1ccccc1C3=O
InChIInChI=1S/C20H18N2O3/c1-21(2)10-11-22-19(24)15-9-5-8-14-16(15)17(20(22)25)12-6-3-4-7-13(12)18(14)23/h3-9,24H,10-11H2,1-2H3
InChIKeyJXZDIKDWMRGFMK-UHFFFAOYSA-N
XLogP2.48
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione with MolForge

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Related Compounds

Agpdtlqauostkb-uhfffaoysa-
CID 361125
15-[2-(Dimethylamino)ethyl]-14-hydroxy-8-imino-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one
CID 135428148
N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide
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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione?
The IUPAC name of 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione (CID 135412904) is 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione.
What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione?
The canonical SMILES for 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione is CN(C)CCn1c(O)c2cccc3c2c(c1=O)-c1ccccc1C3=O.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione?
The InChIKey is JXZDIKDWMRGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21(2)10-11-22-19(24)15-9-5-8-14-16(15)17(20(22)25)12-6-3-4-7-13(12)18(14)23/h3-9,24H,10-11H2,1-2H3.
What are the key properties of 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione?
15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione has a molecular weight of 334.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,16-dione is sourced from PubChem (CID 135412904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).