6-hydroxy-14-propan-2-yl-10-pyridin-3-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

C20H16N4O4 — CID 71754483

IUPAC6-hydroxy-14-propan-2-yl-10-pyridin-3-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
SMILESCC(C)n1[nH]c(=O)c2c(-c3cccnc3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C20H16N4O4/c1-9(2)24-19-14(20(27)23-24)13(10-4-3-7-21-8-10)18-15(22-19)11-5-6-12(25)16(26)17(11)28-18/h3-9,22,26H,1-2H3,(H,23,27)
InChIKeyJJQJLNKTVOLBKL-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.27
Rot. Bonds2

About 6-hydroxy-14-propan-2-yl-10-pyridin-3-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

6-hydroxy-14-propan-2-yl-10-pyridin-3-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 71754483) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 Name6-hydroxy-14-propan-2-yl-10-pyridin-3-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 CID71754483
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name6-hydroxy-14-propan-2-yl-10-pyridin-3-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
SMILESCC(C)n1[nH]c(=O)c2c(-c3cccnc3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C20H16N4O4/c1-9(2)24-19-14(20(27)23-24)13(10-4-3-7-21-8-10)18-15(22-19)11-5-6-12(25)16(26)17(11)28-18/h3-9,22,26H,1-2H3,(H,23,27)
InChIKeyJJQJLNKTVOLBKL-UHFFFAOYSA-N
XLogP3.27
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 71754483) is 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 CC(C)n1[nH]c(=O)c2c(-c3cccnc3)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 JJQJLNKTVOLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-9(2)24-19-14(20(27)23-24)13(10-4-3-7-21-8-10)18-15(22-19)11-5-6-12(25)16(26)17(11)28-18/h3-9,22,26H,1-2H3,(H,23,27).
What are the key properties of 6-hydroxy-14-propan-2-yl-10-pyridin-3-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?
6-hydroxy-14-propan-2-yl-10-pyridin-3-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 376.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-14-propan-2-yl-10-pyridin-3-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 71754483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).