15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C20H18N2O — CID 10542407

IUPAC15-[2-(dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCN(C)CCC1=NC2=CC=CC3=C2C(=C1)C4=CC=CC=C4C3=O
InChIInChI=1S/C20H18N2O/c1-22(2)11-10-13-12-17-14-6-3-4-7-15(14)20(23)16-8-5-9-18(21-13)19(16)17/h3-9,12H,10-11H2,1-2H3
InChIKeyWZMKCXFRVCEKSF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.70
Rot. Bonds3

About 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 10542407) has the molecular formula C20H18N2O and a molecular weight of 302.40 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.

Molecular Properties

Compound Name15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID10542407
Molecular FormulaC20H18N2O
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name15-[2-(dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCN(C)CCC1=NC2=CC=CC3=C2C(=C1)C4=CC=CC=C4C3=O
InChIInChI=1S/C20H18N2O/c1-22(2)11-10-13-12-17-14-6-3-4-7-15(14)20(23)16-8-5-9-18(21-13)19(16)17/h3-9,12H,10-11H2,1-2H3
InChIKeyWZMKCXFRVCEKSF-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity449

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one with MolForge

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

Launch Full Analysis

Related Compounds

Jwh 015
CID 4273754
Jwh-007
CID 10360860
(4-Ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
CID 45268707
SB 222200
CID 6604009
2-Benzoylquinoline
CID 727029
Flavanthrone
CID 68059
EG-018
CID 118796466
(2-methyl-1-pentyl-1H-indol-3-yl)(4-propylnaphthalen-1-yl)methanone
CID 45272121
(1-Butyl-2-methyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 44368310
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
1H-Indene-1,3(2H)-dione, 2-benzo[f]quinolin-3-yl-
CID 95199

Frequently Asked Questions

What is the IUPAC name of 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The IUPAC name of 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 10542407) is 15-[2-(dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one.
What is the SMILES notation for 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The canonical SMILES for 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is CN(C)CCC1=NC2=CC=CC3=C2C(=C1)C4=CC=CC=C4C3=O.
What is the InChIKey of 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
The InChIKey is WZMKCXFRVCEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-22(2)11-10-13-12-17-14-6-3-4-7-15(14)20(23)16-8-5-9-18(21-13)19(16)17/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one has a molecular weight of 302.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(Dimethylamino)ethyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 10542407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).