11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

C24H21N5O2 — CID 43864842

IUPAC11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESCOc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4)c3c2=O)cc1
InChIInChI=1S/C24H21N5O2/c1-16-25-24-26-20-13-15-28(14-12-17-8-10-19(31-2)11-9-17)23(30)21(20)22(29(24)27-16)18-6-4-3-5-7-18/h3-11,13,15H,12,14H2,1-2H3
InChIKeyPOJTUUIONBJWQC-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.67
Rot. Bonds5

About 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (PubChem CID 43864842) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.

Molecular Properties

Compound Name11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
PubChem CID43864842
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESCOc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4)c3c2=O)cc1
InChIInChI=1S/C24H21N5O2/c1-16-25-24-26-20-13-15-28(14-12-17-8-10-19(31-2)11-9-17)23(30)21(20)22(29(24)27-16)18-6-4-3-5-7-18/h3-11,13,15H,12,14H2,1-2H3
InChIKeyPOJTUUIONBJWQC-UHFFFAOYSA-N
XLogP3.67
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one with MolForge

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Related Compounds

8-(4-methoxyphenyl)-5,11-dimethyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 43864881
5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 43864843
5-methyl-8-phenyl-11-(pyridin-3-ylmethyl)-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 43864841
11-(1,3-dihydroxypropan-2-yl)-8-(4-methoxyphenyl)-5-methyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 43864886
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
17-[2-(4-methoxyphenyl)ethyl]-13-[(4-methylphenyl)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 4252721
3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 114760943
17-[(E)-benzylideneamino]-13-[2-(4-methoxyphenyl)ethyl]-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 6890029
4-(4-methoxyphenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
CID 11794173
3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one
CID 136821833
1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(2-phenylethyl)imidazole
CID 86210837
5-[2-(4-methoxyphenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
CID 70681763

Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The IUPAC name of 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (CID 43864842) is 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.
What is the SMILES notation for 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The canonical SMILES for 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4)c3c2=O)cc1.
What is the InChIKey of 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The InChIKey is POJTUUIONBJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-16-25-24-26-20-13-15-28(14-12-17-8-10-19(31-2)11-9-17)23(30)21(20)22(29(24)27-16)18-6-4-3-5-7-18/h3-11,13,15H,12,14H2,1-2H3.
What are the key properties of 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one has a molecular weight of 411.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(4-methoxyphenyl)ethyl]-5-methyl-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is sourced from PubChem (CID 43864842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).