8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one

C24H24N2O3 — CID 122218652

IUPAC8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one
SMILESC=CC1COC2C(=O)N(Cc3ccc(OC)cc3)C2c2c1c1ccccc1n2C
InChIInChI=1S/C24H24N2O3/c1-4-16-14-29-23-22(21-20(16)18-7-5-6-8-19(18)25(21)2)26(24(23)27)13-15-9-11-17(28-3)12-10-15/h4-12,16,22-23H,1,13-14H2,2-3H3
InChIKeyNFDGGVJACUPUJD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.94
Rot. Bonds4

About 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one

8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one (PubChem CID 122218652) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one.

Molecular Properties

Compound Name8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one
PubChem CID122218652
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one
SMILESC=CC1COC2C(=O)N(Cc3ccc(OC)cc3)C2c2c1c1ccccc1n2C
InChIInChI=1S/C24H24N2O3/c1-4-16-14-29-23-22(21-20(16)18-7-5-6-8-19(18)25(21)2)26(24(23)27)13-15-9-11-17(28-3)12-10-15/h4-12,16,22-23H,1,13-14H2,2-3H3
InChIKeyNFDGGVJACUPUJD-UHFFFAOYSA-N
XLogP3.94
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 101356806
4-but-3-enyl-2-[(4-methoxyphenyl)methyl]-10-methyl-3-prop-2-enyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 101356808
5,5-bis(ethenyl)-8-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,2,6,7-tetrahydroazonino[5,4-b]indol-4-one
CID 134963062
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 10017977
4-but-3-enyl-2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3H-azepino[3,4-b]indole-1,5-dione
CID 101356800
9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
CID 102361610
4-hex-5-enyl-2-[(4-methoxyphenyl)methyl]-10-methyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 170859851
(1S,2R,5S)-2-amino-6-benzyl-8-[(4-methoxyphenyl)methyl]-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
CID 46237312
7-bromo-2-[(4-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptane-3,6-dione
CID 74020999
5-ethenyl-3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 175926210

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one?
The IUPAC name of 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one (CID 122218652) is 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one.
What is the SMILES notation for 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one?
The canonical SMILES for 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one is C=CC1COC2C(=O)N(Cc3ccc(OC)cc3)C2c2c1c1ccccc1n2C.
What is the InChIKey of 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one?
The InChIKey is NFDGGVJACUPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-16-14-29-23-22(21-20(16)18-7-5-6-8-19(18)25(21)2)26(24(23)27)13-15-9-11-17(28-3)12-10-15/h4-12,16,22-23H,1,13-14H2,2-3H3.
What are the key properties of 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one?
8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one has a molecular weight of 388.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-3-[(4-methoxyphenyl)methyl]-16-methyl-6-oxa-3,16-diazatetracyclo[7.7.0.02,5.010,15]hexadeca-1(9),10,12,14-tetraen-4-one is sourced from PubChem (CID 122218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).