7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

C24H23N3O5 — CID 74542477

IUPAC7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
SMILESCOCCN1C(=O)NC(=O)C2C(c3ccc(OC)cc3)C3=C(NC21)c1ccccc1C3=O
InChIInChI=1S/C24H23N3O5/c1-31-12-11-27-22-19(23(29)26-24(27)30)17(13-7-9-14(32-2)10-8-13)18-20(25-22)15-5-3-4-6-16(15)21(18)28/h3-10,17,19,22,25H,11-12H2,1-2H3,(H,26,29,30)
InChIKeyYQDPGJZSBBUGFA-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.13
Rot. Bonds5

About 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione (PubChem CID 74542477) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
PubChem CID74542477
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
SMILESCOCCN1C(=O)NC(=O)C2C(c3ccc(OC)cc3)C3=C(NC21)c1ccccc1C3=O
InChIInChI=1S/C24H23N3O5/c1-31-12-11-27-22-19(23(29)26-24(27)30)17(13-7-9-14(32-2)10-8-13)18-20(25-22)15-5-3-4-6-16(15)21(18)28/h3-10,17,19,22,25H,11-12H2,1-2H3,(H,26,29,30)
InChIKeyYQDPGJZSBBUGFA-UHFFFAOYSA-N
XLogP2.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione with MolForge

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Related Compounds

12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329
(2R)-7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 27891420
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
CID 78223299
methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 999830
2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778813
(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 25415336
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-2-(3-methoxyphenyl)-7-(3-methoxypropyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 27891425
(7R,10R)-7-(4-methoxyphenyl)-10-(4-methylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 51463498

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
The IUPAC name of 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione (CID 74542477) is 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
The canonical SMILES for 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione is COCCN1C(=O)NC(=O)C2C(c3ccc(OC)cc3)C3=C(NC21)c1ccccc1C3=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
The InChIKey is YQDPGJZSBBUGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-31-12-11-27-22-19(23(29)26-24(27)30)17(13-7-9-14(32-2)10-8-13)18-20(25-22)15-5-3-4-6-16(15)21(18)28/h3-10,17,19,22,25H,11-12H2,1-2H3,(H,26,29,30).
What are the key properties of 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione has a molecular weight of 433.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione is sourced from PubChem (CID 74542477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).