(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone

C25H22N4O2 — CID 58054770

IUPAC(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(nn(-c4ccccc4)c3C)-c3cccnc32)cc1
InChIInChI=1S/C25H22N4O2/c1-17-21-14-16-28(25(30)18-10-12-20(31-2)13-11-18)24-22(9-6-15-26-24)23(21)27-29(17)19-7-4-3-5-8-19/h3-13,15H,14,16H2,1-2H3
InChIKeyVGBOBNGWRUWEEK-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.45
Rot. Bonds3

About (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone

(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone (PubChem CID 58054770) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone
PubChem CID58054770
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3c(nn(-c4ccccc4)c3C)-c3cccnc32)cc1
InChIInChI=1S/C25H22N4O2/c1-17-21-14-16-28(25(30)18-10-12-20(31-2)13-11-18)24-22(9-6-15-26-24)23(21)27-29(17)19-7-4-3-5-8-19/h3-13,15H,14,16H2,1-2H3
InChIKeyVGBOBNGWRUWEEK-UHFFFAOYSA-N
XLogP4.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone with MolForge

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Related Compounds

(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)-thiophen-2-ylmethanone
CID 58054798
N-(4-methoxyphenyl)-5-oxo-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-9-carboxamide
CID 46932068
(4-methoxyphenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996236
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 90507036
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
CID 4562650
[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473179
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239
(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996288

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone (CID 58054770) is (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone is COc1ccc(C(=O)N2CCc3c(nn(-c4ccccc4)c3C)-c3cccnc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone?
The InChIKey is VGBOBNGWRUWEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-21-14-16-28(25(30)18-10-12-20(31-2)13-11-18)24-22(9-6-15-26-24)23(21)27-29(17)19-7-4-3-5-8-19/h3-13,15H,14,16H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone?
(4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone has a molecular weight of 410.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-methyl-4-phenyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-9-yl)methanone is sourced from PubChem (CID 58054770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).