17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione

C29H24N4O3 — CID 5014912

IUPAC17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4ccc(C)cc4)nc4ccccc4n23)cc1
InChIInChI=1S/C29H24N4O3/c1-17-9-11-18(12-10-17)24-27-26-23(28(34)32(3)29(35)31(26)2)25(19-13-15-20(36-4)16-14-19)33(27)22-8-6-5-7-21(22)30-24/h5-16H,1-4H3
InChIKeyHZXHKRCARXVFIK-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.69
Rot. Bonds3

About 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione

17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione (PubChem CID 5014912) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione.

Molecular Properties

Compound Name17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
PubChem CID5014912
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4ccc(C)cc4)nc4ccccc4n23)cc1
InChIInChI=1S/C29H24N4O3/c1-17-9-11-18(12-10-17)24-27-26-23(28(34)32(3)29(35)31(26)2)25(19-13-15-20(36-4)16-14-19)33(27)22-8-6-5-7-21(22)30-24/h5-16H,1-4H3
InChIKeyHZXHKRCARXVFIK-UHFFFAOYSA-N
XLogP4.69
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione 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

12,14-dimethyl-9-(3-methylphenyl)-17-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5015181
12,14-dimethyl-17-(4-methylphenyl)-9-(phenoxymethyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5014918
12,14-dimethyl-17-(4-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5014915
8-(4-methoxyphenyl)-3,5-dimethyl-3,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene-4,6-dione
CID 712993
(9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500818
1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
CID 132523151
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 664086
(9R)-9-(3-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 92500756
1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole
CID 51032413
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665078

Frequently Asked Questions

What is the IUPAC name of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The IUPAC name of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione (CID 5014912) is 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione.
What is the SMILES notation for 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The canonical SMILES for 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4ccc(C)cc4)nc4ccccc4n23)cc1.
What is the InChIKey of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The InChIKey is HZXHKRCARXVFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-17-9-11-18(12-10-17)24-27-26-23(28(34)32(3)29(35)31(26)2)25(19-13-15-20(36-4)16-14-19)33(27)22-8-6-5-7-21(22)30-24/h5-16H,1-4H3.
What are the key properties of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione has a molecular weight of 476.54 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione is sourced from PubChem (CID 5014912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).