9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone

C19H15N7O5 — CID 46946487

IUPAC9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone
SMILESCOc1ccc(C2c3c(nc4[nH]c(=O)[nH]c(=O)c4c3N)Nc3[nH]c(=O)[nH]c(=O)c32)cc1
InChIInChI=1S/C19H15N7O5/c1-31-7-4-2-6(3-5-7)8-9-12(20)11-15(24-19(30)26-17(11)28)22-13(9)21-14-10(8)16(27)25-18(29)23-14/h2-5,8H,1H3,(H7,20,21,22,23,24,25,26,27,28,29,30)
InChIKeyXISJQRSXLZOICT-UHFFFAOYSA-N
MW421.37 g/mol
LogP-0.18
Rot. Bonds2

About 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone

9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone (PubChem CID 46946487) has the molecular formula C19H15N7O5 and a molecular weight of 421.37 g/mol. Its IUPAC name is 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone.

Molecular Properties

Compound Name9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone
PubChem CID46946487
Molecular FormulaC19H15N7O5
Molecular Weight421.37 g/mol
Exact Mass421.11
IUPAC Name9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone
SMILESCOc1ccc(C2c3c(nc4[nH]c(=O)[nH]c(=O)c4c3N)Nc3[nH]c(=O)[nH]c(=O)c32)cc1
InChIInChI=1S/C19H15N7O5/c1-31-7-4-2-6(3-5-7)8-9-12(20)11-15(24-19(30)26-17(11)28)22-13(9)21-14-10(8)16(27)25-18(29)23-14/h2-5,8H,1H3,(H7,20,21,22,23,24,25,26,27,28,29,30)
InChIKeyXISJQRSXLZOICT-UHFFFAOYSA-N
XLogP-0.18
TPSA191.61 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone?
The IUPAC name of 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone (CID 46946487) is 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone.
What is the SMILES notation for 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone?
The canonical SMILES for 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone is COc1ccc(C2c3c(nc4[nH]c(=O)[nH]c(=O)c4c3N)Nc3[nH]c(=O)[nH]c(=O)c32)cc1.
What is the InChIKey of 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone?
The InChIKey is XISJQRSXLZOICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O5/c1-31-7-4-2-6(3-5-7)8-9-12(20)11-15(24-19(30)26-17(11)28)22-13(9)21-14-10(8)16(27)25-18(29)23-14/h2-5,8H,1H3,(H7,20,21,22,23,24,25,26,27,28,29,30).
What are the key properties of 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone?
9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone has a molecular weight of 421.37 g/mol, XLogP of -0.18, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-11-(4-methoxyphenyl)-2,4,6,14,16,18-hexazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,8,12(17)-tetraene-5,7,13,15-tetrone is sourced from PubChem (CID 46946487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).