9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

C22H19N3O — CID 151020003

IUPAC9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCOc1ccc(CN2Cc3ccccc3-c3nc4ccccn4c32)cc1
InChIInChI=1S/C22H19N3O/c1-26-18-11-9-16(10-12-18)14-24-15-17-6-2-3-7-19(17)21-22(24)25-13-5-4-8-20(25)23-21/h2-13H,14-15H2,1H3
InChIKeyLXWDRZDNVNIIPD-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.53
Rot. Bonds3

About 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (PubChem CID 151020003) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
PubChem CID151020003
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESCOc1ccc(CN2Cc3ccccc3-c3nc4ccccn4c32)cc1
InChIInChI=1S/C22H19N3O/c1-26-18-11-9-16(10-12-18)14-24-15-17-6-2-3-7-19(17)21-22(24)25-13-5-4-8-20(25)23-21/h2-13H,14-15H2,1H3
InChIKeyLXWDRZDNVNIIPD-UHFFFAOYSA-N
XLogP4.53
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene with MolForge

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Related Compounds

9-[(2,4-dimethoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 141305678
9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
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N-tert-butyl-10-(4-methoxyphenyl)-8,10,12,18-tetrazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,13,15,17-heptaen-9-imine
CID 169092823
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4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (CID 151020003) is 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is COc1ccc(CN2Cc3ccccc3-c3nc4ccccn4c32)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The InChIKey is LXWDRZDNVNIIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-18-11-9-16(10-12-18)14-24-15-17-6-2-3-7-19(17)21-22(24)25-13-5-4-8-20(25)23-21/h2-13H,14-15H2,1H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene has a molecular weight of 341.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is sourced from PubChem (CID 151020003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).