13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one

C24H22N2O4 — CID 75390682

IUPAC13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
SMILESC/C=C/c1ccc(OCC(=O)N2CC(=O)Nc3cccc4cccc2c34)c(OC)c1
InChIInChI=1S/C24H22N2O4/c1-3-6-16-11-12-20(21(13-16)29-2)30-15-23(28)26-14-22(27)25-18-9-4-7-17-8-5-10-19(26)24(17)18/h3-13H,14-15H2,1-2H3,(H,25,27)/b6-3+
InChIKeyRYHOZARSAWOCQV-ZZXKWVIFSA-N
MW402.45 g/mol
LogP4.25
Rot. Bonds5

About 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one

13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one (PubChem CID 75390682) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one.

Molecular Properties

Compound Name13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
PubChem CID75390682
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
SMILESC/C=C/c1ccc(OCC(=O)N2CC(=O)Nc3cccc4cccc2c34)c(OC)c1
InChIInChI=1S/C24H22N2O4/c1-3-6-16-11-12-20(21(13-16)29-2)30-15-23(28)26-14-22(27)25-18-9-4-7-17-8-5-10-19(26)24(17)18/h3-13H,14-15H2,1-2H3,(H,25,27)/b6-3+
InChIKeyRYHOZARSAWOCQV-ZZXKWVIFSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one with MolForge

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Related Compounds

4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone
CID 74514826
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 36860916
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26532467
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 2471343
N-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]phenyl]acetamide
CID 2411041
2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 97430729
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 17466737

Frequently Asked Questions

What is the IUPAC name of 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one?
The IUPAC name of 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one (CID 75390682) is 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one.
What is the SMILES notation for 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one?
The canonical SMILES for 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one is C/C=C/c1ccc(OCC(=O)N2CC(=O)Nc3cccc4cccc2c34)c(OC)c1.
What is the InChIKey of 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one?
The InChIKey is RYHOZARSAWOCQV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-3-6-16-11-12-20(21(13-16)29-2)30-15-23(28)26-14-22(27)25-18-9-4-7-17-8-5-10-19(26)24(17)18/h3-13H,14-15H2,1-2H3,(H,25,27)/b6-3+.
What are the key properties of 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one?
13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one has a molecular weight of 402.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one is sourced from PubChem (CID 75390682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).