5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione

C23H17N5O2 — CID 162683711

IUPAC5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione
SMILESCn1c2c(=O)n(CC3=C=C=CC=C3)ncc2c2cnn(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C23H17N5O2/c1-26-20-18(12-24-27(22(20)29)14-16-8-4-2-5-9-16)19-13-25-28(23(30)21(19)26)15-17-10-6-3-7-11-17/h2-6,8-10,12-13H,14-15H2,1H3
InChIKeyXQJMDWOPKDAXLG-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.30
Rot. Bonds4

About 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione

5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione (PubChem CID 162683711) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione.

Molecular Properties

Compound Name5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione
PubChem CID162683711
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione
SMILESCn1c2c(=O)n(CC3=C=C=CC=C3)ncc2c2cnn(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C23H17N5O2/c1-26-20-18(12-24-27(22(20)29)14-16-8-4-2-5-9-16)19-13-25-28(23(30)21(19)26)15-17-10-6-3-7-11-17/h2-6,8-10,12-13H,14-15H2,1H3
InChIKeyXQJMDWOPKDAXLG-UHFFFAOYSA-N
XLogP2.30
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione with MolForge

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Related Compounds

1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 10731071
3-[(3-acetylphenyl)methyl]-8-(benzenesulfonyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 154681963
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520
10-benzyl-7-methyl-4-(2H-tetrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 154589003
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
3-[(3-aminophenyl)methyl]-5-methyl-7-methylsulfanylpyridazino[4,5-b]indol-4-one
CID 162683493
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione?
The IUPAC name of 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione (CID 162683711) is 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione.
What is the SMILES notation for 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione?
The canonical SMILES for 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione is Cn1c2c(=O)n(CC3=C=C=CC=C3)ncc2c2cnn(Cc3ccccc3)c(=O)c21.
What is the InChIKey of 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione?
The InChIKey is XQJMDWOPKDAXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-26-20-18(12-24-27(22(20)29)14-16-8-4-2-5-9-16)19-13-25-28(23(30)21(19)26)15-17-10-6-3-7-11-17/h2-6,8-10,12-13H,14-15H2,1H3.
What are the key properties of 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione?
5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione has a molecular weight of 395.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione is sourced from PubChem (CID 162683711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).