7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione

C18H14N4O4 — CID 18697770

IUPAC7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione
SMILESCOc1ccc(Cn2nnc3c(=O)[nH]c4cc(O)ccc4c(=O)c32)cc1
InChIInChI=1S/C18H14N4O4/c1-26-12-5-2-10(3-6-12)9-22-16-15(20-21-22)18(25)19-14-8-11(23)4-7-13(14)17(16)24/h2-8,23H,9H2,1H3,(H,19,25)
InChIKeyOQKUGRHFFPWXIP-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.40
Rot. Bonds3

About 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione

7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18697770) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18697770
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione
SMILESCOc1ccc(Cn2nnc3c(=O)[nH]c4cc(O)ccc4c(=O)c32)cc1
InChIInChI=1S/C18H14N4O4/c1-26-12-5-2-10(3-6-12)9-22-16-15(20-21-22)18(25)19-14-8-11(23)4-7-13(14)17(16)24/h2-8,23H,9H2,1H3,(H,19,25)
InChIKeyOQKUGRHFFPWXIP-UHFFFAOYSA-N
XLogP1.40
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione with MolForge

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Related Compounds

7-[3-(4-Methylpiperazin-1-yl)propoxy]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione;bis(2,2,2-trifluoroacetic acid)
CID 18697773
7-(3-Morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione;2,2,2-trifluoroacetic acid
CID 18697780
7-[3-(4-Benzylpiperidin-1-yl)propoxy]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione;2,2,2-trifluoroacetic acid
CID 18697824
[7-[3-(4-benzylpiperidin-1-yl)propoxy]-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-1-yl] 2,2,2-trifluoroacetate
CID 88243307
(7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 9911681
(7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-2-yl)methyl benzoate
CID 9953251
1-(7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-1-yl)ethyl propan-2-yl carbonate
CID 12051527
(7,8-dimethoxy-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-1-yl)methyl 2,2-dimethylpropanoate
CID 12051528
methyl 2-[[(E)-3-[1-[(4-methoxyphenyl)methyl]-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-7-yl]prop-2-enoyl]amino]benzoate
CID 15487329
methyl 3-[1-[(4-methoxyphenyl)methyl]-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-7-yl]propanoate
CID 18697747
7-(3-Morpholin-4-ylpropoxy)-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18697755
3-[1-[(4-methoxyphenyl)methyl]-4,10-dioxo-5H-triazolo[4,5-c][1]benzazepin-7-yl]-N-[(1-methyl-2H-pyridin-6-yl)methyl]propanamide
CID 18697757

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione (CID 18697770) is 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione is COc1ccc(Cn2nnc3c(=O)[nH]c4cc(O)ccc4c(=O)c32)cc1.
What is the InChIKey of 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is OQKUGRHFFPWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-26-12-5-2-10(3-6-12)9-22-16-15(20-21-22)18(25)19-14-8-11(23)4-7-13(14)17(16)24/h2-8,23H,9H2,1H3,(H,19,25).
What are the key properties of 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione?
7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 350.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18697770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).