5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one

C20H21N3O2 — CID 71076714

IUPAC5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
SMILESCc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN(C)C)ccc3c12
InChIInChI=1S/C20H21N3O2/c1-12-11-21-20(24)18-17-15-6-5-14(25-9-8-23(2)3)10-13(15)4-7-16(17)22-19(12)18/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,24)
InChIKeyCFZQXHXBFDAHQW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.41
Rot. Bonds4

About 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one

5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one (PubChem CID 71076714) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
PubChem CID71076714
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
SMILESCc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN(C)C)ccc3c12
InChIInChI=1S/C20H21N3O2/c1-12-11-21-20(24)18-17-15-6-5-14(25-9-8-23(2)3)10-13(15)4-7-16(17)22-19(12)18/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,24)
InChIKeyCFZQXHXBFDAHQW-UHFFFAOYSA-N
XLogP3.41
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one (CID 71076714) is 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one is Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN(C)C)ccc3c12.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The InChIKey is CFZQXHXBFDAHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-11-21-20(24)18-17-15-6-5-14(25-9-8-23(2)3)10-13(15)4-7-16(17)22-19(12)18/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,24).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one has a molecular weight of 335.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one is sourced from PubChem (CID 71076714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).