10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C22H19N3O5 — CID 71753854

IUPAC10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCOc1cc(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)ccc1O
InChIInChI=1S/C22H19N3O5/c1-10(2)25-21-18(22(28)24-25)17(11-4-7-14(27)16(8-11)29-3)20-19(23-21)13-6-5-12(26)9-15(13)30-20/h4-10,23,27H,1-3H3,(H,24,28)
InChIKeyGHNOHIISJXRUDE-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.88
Rot. Bonds3

About 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71753854) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71753854
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCOc1cc(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)ccc1O
InChIInChI=1S/C22H19N3O5/c1-10(2)25-21-18(22(28)24-25)17(11-4-7-14(27)16(8-11)29-3)20-19(23-21)13-6-5-12(26)9-15(13)30-20/h4-10,23,27H,1-3H3,(H,24,28)
InChIKeyGHNOHIISJXRUDE-UHFFFAOYSA-N
XLogP3.88
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71753854) is 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is COc1cc(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)ccc1O.
What is the InChIKey of 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is GHNOHIISJXRUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-10(2)25-21-18(22(28)24-25)17(11-4-7-14(27)16(8-11)29-3)20-19(23-21)13-6-5-12(26)9-15(13)30-20/h4-10,23,27H,1-3H3,(H,24,28).
What are the key properties of 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 405.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71753854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).