6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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

C20H16N4O5 — CID 71754545

IUPAC6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc[nH]c3=O)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C20H16N4O5/c1-8(2)24-18-13(20(28)23-24)12(9-4-3-7-21-19(9)27)17-14(22-18)10-5-6-11(25)15(26)16(10)29-17/h3-8,22,26H,1-2H3,(H,21,27)(H,23,28)
InChIKeyGXQRLKSXXVZGQQ-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.56
Rot. Bonds2

About 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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

6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 71754545) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 Name6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 CID71754545
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc[nH]c3=O)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C20H16N4O5/c1-8(2)24-18-13(20(28)23-24)12(9-4-3-7-21-19(9)27)17-14(22-18)10-5-6-11(25)15(26)16(10)29-17/h3-8,22,26H,1-2H3,(H,21,27)(H,23,28)
InChIKeyGXQRLKSXXVZGQQ-UHFFFAOYSA-N
XLogP2.56
TPSA136.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 71754545) is 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 CC(C)n1[nH]c(=O)c2c(-c3ccc[nH]c3=O)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 GXQRLKSXXVZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-8(2)24-18-13(20(28)23-24)12(9-4-3-7-21-19(9)27)17-14(22-18)10-5-6-11(25)15(26)16(10)29-17/h3-8,22,26H,1-2H3,(H,21,27)(H,23,28).
What are the key properties of 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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?
6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 392.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-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 71754545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).