4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one

C23H21N3O2 — CID 56679977

IUPAC4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
SMILESCOc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)cc1
InChIInChI=1S/C23H21N3O2/c1-28-15-5-2-13(3-6-15)18-10-17-14(12-24-18)4-7-16-20-19(25-21(16)17)11-23(8-9-23)26-22(20)27/h2-3,5-6,10,12,25H,4,7-9,11H2,1H3,(H,26,27)
InChIKeyFZMLHUYYSNMZKW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.67
Rot. Bonds2

About 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one

4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one (PubChem CID 56679977) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
PubChem CID56679977
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
SMILESCOc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)cc1
InChIInChI=1S/C23H21N3O2/c1-28-15-5-2-13(3-6-15)18-10-17-14(12-24-18)4-7-16-20-19(25-21(16)17)11-23(8-9-23)26-22(20)27/h2-3,5-6,10,12,25H,4,7-9,11H2,1H3,(H,26,27)
InChIKeyFZMLHUYYSNMZKW-UHFFFAOYSA-N
XLogP3.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
The IUPAC name of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one (CID 56679977) is 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one.
What is the SMILES notation for 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
The canonical SMILES for 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one is COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
The InChIKey is FZMLHUYYSNMZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-15-5-2-13(3-6-15)18-10-17-14(12-24-18)4-7-16-20-19(25-21(16)17)11-23(8-9-23)26-22(20)27/h2-3,5-6,10,12,25H,4,7-9,11H2,1H3,(H,26,27).
What are the key properties of 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one has a molecular weight of 371.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one is sourced from PubChem (CID 56679977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).