16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

C24H22N4O2 — CID 10126690

IUPAC16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESCN(C)CCOc1ccc(-c2nc3cccc4c3n2-c2ccccc2NC4=O)cc1
InChIInChI=1S/C24H22N4O2/c1-27(2)14-15-30-17-12-10-16(11-13-17)23-25-20-8-5-6-18-22(20)28(23)21-9-4-3-7-19(21)26-24(18)29/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyPPEIIHIUXBCXIJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.20
Rot. Bonds5

About 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (PubChem CID 10126690) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.

Molecular Properties

Compound Name16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
PubChem CID10126690
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESCN(C)CCOc1ccc(-c2nc3cccc4c3n2-c2ccccc2NC4=O)cc1
InChIInChI=1S/C24H22N4O2/c1-27(2)14-15-30-17-12-10-16(11-13-17)23-25-20-8-5-6-18-22(20)28(23)21-9-4-3-7-19(21)26-24(18)29/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyPPEIIHIUXBCXIJ-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-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

Mchb-1
CID 44561533
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 9953922
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
17-(Furan-2-ylmethyl)-13-[(4-methoxyphenyl)methyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659878
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
(R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpiperidin-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 9825614

Frequently Asked Questions

What is the IUPAC name of 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The IUPAC name of 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (CID 10126690) is 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.
What is the SMILES notation for 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The canonical SMILES for 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is CN(C)CCOc1ccc(-c2nc3cccc4c3n2-c2ccccc2NC4=O)cc1.
What is the InChIKey of 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The InChIKey is PPEIIHIUXBCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-27(2)14-15-30-17-12-10-16(11-13-17)23-25-20-8-5-6-18-22(20)28(23)21-9-4-3-7-19(21)26-24(18)29/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one has a molecular weight of 398.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-[2-(dimethylamino)ethoxy]phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is sourced from PubChem (CID 10126690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).