14-cyclohexyl-6-hydroxy-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

C23H20N4O4 — CID 71754664

IUPAC14-cyclohexyl-6-hydroxy-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
SMILESO=c1ccc2c(oc3c(-c4cccnc4)c4c(=O)[nH]n(C5CCCCC5)c4[nH]c32)c1O
InChIInChI=1S/C23H20N4O4/c28-15-9-8-14-18-21(31-20(14)19(15)29)16(12-5-4-10-24-11-12)17-22(25-18)27(26-23(17)30)13-6-2-1-3-7-13/h4-5,8-11,13,25,29H,1-3,6-7H2,(H,26,30)
InChIKeyJJUJCWJIUAUJAU-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.19
Rot. Bonds2

About 14-cyclohexyl-6-hydroxy-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

14-cyclohexyl-6-hydroxy-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 71754664) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 14-cyclohexyl-6-hydroxy-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 Name14-cyclohexyl-6-hydroxy-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 CID71754664
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name14-cyclohexyl-6-hydroxy-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
SMILESO=c1ccc2c(oc3c(-c4cccnc4)c4c(=O)[nH]n(C5CCCCC5)c4[nH]c32)c1O
InChIInChI=1S/C23H20N4O4/c28-15-9-8-14-18-21(31-20(14)19(15)29)16(12-5-4-10-24-11-12)17-22(25-18)27(26-23(17)30)13-6-2-1-3-7-13/h4-5,8-11,13,25,29H,1-3,6-7H2,(H,26,30)
InChIKeyJJUJCWJIUAUJAU-UHFFFAOYSA-N
XLogP4.19
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 14-cyclohexyl-6-hydroxy-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 14-cyclohexyl-6-hydroxy-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 14-cyclohexyl-6-hydroxy-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 71754664) is 14-cyclohexyl-6-hydroxy-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 14-cyclohexyl-6-hydroxy-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 14-cyclohexyl-6-hydroxy-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 O=c1ccc2c(oc3c(-c4cccnc4)c4c(=O)[nH]n(C5CCCCC5)c4[nH]c32)c1O.
What is the InChIKey of 14-cyclohexyl-6-hydroxy-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 JJUJCWJIUAUJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-15-9-8-14-18-21(31-20(14)19(15)29)16(12-5-4-10-24-11-12)17-22(25-18)27(26-23(17)30)13-6-2-1-3-7-13/h4-5,8-11,13,25,29H,1-3,6-7H2,(H,26,30).
What are the key properties of 14-cyclohexyl-6-hydroxy-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?
14-cyclohexyl-6-hydroxy-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 416.44 g/mol, XLogP of 4.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-6-hydroxy-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 71754664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).