4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one

C24H25N5O2 — CID 143745777

IUPAC4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
SMILESCOc1ccc(-c2ncc3c(n2)-c2c(c4c(n2C)CC2(CN(C)C2)NC4=O)CC3)cc1
InChIInChI=1S/C24H25N5O2/c1-28-12-24(13-28)10-18-19(23(30)27-24)17-9-6-15-11-25-22(26-20(15)21(17)29(18)2)14-4-7-16(31-3)8-5-14/h4-5,7-8,11H,6,9-10,12-13H2,1-3H3,(H,27,30)
InChIKeyUIRWOSLLIZDYFW-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.23
Rot. Bonds2

About 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one

4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one (PubChem CID 143745777) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
PubChem CID143745777
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
SMILESCOc1ccc(-c2ncc3c(n2)-c2c(c4c(n2C)CC2(CN(C)C2)NC4=O)CC3)cc1
InChIInChI=1S/C24H25N5O2/c1-28-12-24(13-28)10-18-19(23(30)27-24)17-9-6-15-11-25-22(26-20(15)21(17)29(18)2)14-4-7-16(31-3)8-5-14/h4-5,7-8,11H,6,9-10,12-13H2,1-3H3,(H,27,30)
InChIKeyUIRWOSLLIZDYFW-UHFFFAOYSA-N
XLogP2.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The IUPAC name of 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one (CID 143745777) is 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one is COc1ccc(-c2ncc3c(n2)-c2c(c4c(n2C)CC2(CN(C)C2)NC4=O)CC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The InChIKey is UIRWOSLLIZDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28-12-24(13-28)10-18-19(23(30)27-24)17-9-6-15-11-25-22(26-20(15)21(17)29(18)2)14-4-7-16(31-3)8-5-14/h4-5,7-8,11H,6,9-10,12-13H2,1-3H3,(H,27,30).
What are the key properties of 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one has a molecular weight of 415.50 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1',17-dimethylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one is sourced from PubChem (CID 143745777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).