5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole

C26H28N2O5 — CID 71458168

IUPAC5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
SMILESCOc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(Cc1cc(C)on1)CC3
InChIInChI=1S/C26H28N2O5/c1-15-8-16(27-33-15)13-28-7-6-17-18-9-23(29-2)24(30-3)10-19(18)20-11-25(31-4)26(32-5)12-21(20)22(17)14-28/h8-12H,6-7,13-14H2,1-5H3
InChIKeyLSDGAFIPHHQYJZ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.88
Rot. Bonds6

About 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole

5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole (PubChem CID 71458168) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
PubChem CID71458168
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
SMILESCOc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(Cc1cc(C)on1)CC3
InChIInChI=1S/C26H28N2O5/c1-15-8-16(27-33-15)13-28-7-6-17-18-9-23(29-2)24(30-3)10-19(18)20-11-25(31-4)26(32-5)12-21(20)22(17)14-28/h8-12H,6-7,13-14H2,1-5H3
InChIKeyLSDGAFIPHHQYJZ-UHFFFAOYSA-N
XLogP4.88
TPSA66.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole (CID 71458168) is 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole is COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(Cc1cc(C)on1)CC3.
What is the InChIKey of 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole?
The InChIKey is LSDGAFIPHHQYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-15-8-16(27-33-15)13-28-7-6-17-18-9-23(29-2)24(30-3)10-19(18)20-11-25(31-4)26(32-5)12-21(20)22(17)14-28/h8-12H,6-7,13-14H2,1-5H3.
What are the key properties of 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole?
5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole has a molecular weight of 448.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 71458168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).