12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

C23H23N3O2 — CID 53231656

IUPAC12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCN1CCN(CCOc2ccc3c4c(nccc24)-c2ccccc2C3=O)CC1
InChIInChI=1S/C23H23N3O2/c1-25-10-12-26(13-11-25)14-15-28-20-7-6-19-21-18(20)8-9-24-22(21)16-4-2-3-5-17(16)23(19)27/h2-9H,10-15H2,1H3
InChIKeyNWDIJOHBBCBVAQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.07
Rot. Bonds4

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

12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (PubChem CID 53231656) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 Name12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
PubChem CID53231656
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
SMILESCN1CCN(CCOc2ccc3c4c(nccc24)-c2ccccc2C3=O)CC1
InChIInChI=1S/C23H23N3O2/c1-25-10-12-26(13-11-25)14-15-28-20-7-6-19-21-18(20)8-9-24-22(21)16-4-2-3-5-17(16)23(19)27/h2-9H,10-15H2,1H3
InChIKeyNWDIJOHBBCBVAQ-UHFFFAOYSA-N
XLogP3.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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

5-Methoxy-7H-dibenzo(de,h)quinolin-7-one
CID 15634400
Lysicamine
CID 122691
Biarylether amide quinoline, 4g
CID 44123769
6,7,10-Trimethoxy-2-pyridin-2-ylbenzo[h]chromen-4-one
CID 162655045
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
CID 10319620
Menisporphine
CID 150032
[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-4-yl]-[3-methyl-4-[2-(8H-1,7-naphthyridin-7-yl)ethoxy]phenyl]methanone
CID 168292784
1-{4-Methoxy-3-[(8-quinolinyloxy)methyl]phenyl}ethanone
CID 973526
(6-Methoxy-2-naphthyl){1-[(6-methylpyridin-2-yl)methyl]piperidin-3-yl}methanone
CID 16188360
(4-Methoxy-naphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone
CID 10365278
5-{(1S)-2-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}isoquinoline-1-carboxylic acid methylamide
CID 11605001
4-[7,7-Dimethyl-1-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydrochromeno[6,7-g]indol-3-yl]benzoic acid
CID 11754188

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one (CID 53231656) is 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one is CN1CCN(CCOc2ccc3c4c(nccc24)-c2ccccc2C3=O)CC1.
What is the InChIKey of 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 NWDIJOHBBCBVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-25-10-12-26(13-11-25)14-15-28-20-7-6-19-21-18(20)8-9-24-22(21)16-4-2-3-5-17(16)23(19)27/h2-9H,10-15H2,1H3.
What are the key properties of 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one?
12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 373.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-methylpiperazin-1-yl)ethoxy]-16-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 53231656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).