6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C28H18N2O6 — CID 1050441

IUPAC6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCOc1cccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cccc(OC)c2)C4=O)c1
InChIInChI=1S/C28H18N2O6/c1-35-17-7-3-5-15(13-17)29-25(31)19-9-11-21-24-22(12-10-20(23(19)24)26(29)32)28(34)30(27(21)33)16-6-4-8-18(14-16)36-2/h3-14H,1-2H3
InChIKeyDXHHCFVMIISBHM-UHFFFAOYSA-N
MW478.46 g/mol
LogP4.46
Rot. Bonds4

About 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 1050441) has the molecular formula C28H18N2O6 and a molecular weight of 478.46 g/mol. Its IUPAC name is 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID1050441
Molecular FormulaC28H18N2O6
Molecular Weight478.46 g/mol
Exact Mass478.12
IUPAC Name6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCOc1cccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cccc(OC)c2)C4=O)c1
InChIInChI=1S/C28H18N2O6/c1-35-17-7-3-5-15(13-17)29-25(31)19-9-11-21-24-22(12-10-20(23(19)24)26(29)32)28(34)30(27(21)33)16-6-4-8-18(14-16)36-2/h3-14H,1-2H3
InChIKeyDXHHCFVMIISBHM-UHFFFAOYSA-N
XLogP4.46
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone 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

2-cyclohexyl-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide
CID 22334090
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 6710451
2,9-bis(4-ethoxyphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
CID 90365
1-N,3-N-bis(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 138884
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-phenylisoquinolin-1(2H)-one
CID 54580905
2-(3,4,5-Trimethoxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 52952987
2,7-Bis-(3-hydroxy-phenyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone
CID 1102900
2-(4-(4-(4-methoxyphenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2926808
N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 23112208
N-[4-(7-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]naphthalene-2-carboxamide
CID 44390237
[3-[[3-(dimethylamino)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70683652
2-(3-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 716761

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 1050441) is 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is COc1cccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cccc(OC)c2)C4=O)c1.
What is the InChIKey of 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is DXHHCFVMIISBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O6/c1-35-17-7-3-5-15(13-17)29-25(31)19-9-11-21-24-22(12-10-20(23(19)24)26(29)32)28(34)30(27(21)33)16-6-4-8-18(14-16)36-2/h3-14H,1-2H3.
What are the key properties of 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 478.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(3-methoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 1050441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).