14-cyclohexyl-6-methyl-10-(2-oxo-1H-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

C24H22N4O4 — CID 71702603

IUPAC14-cyclohexyl-6-methyl-10-(2-oxo-1H-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C24H22N4O4/c1-12-16(29)10-9-15-19-21(32-20(12)15)17(14-8-5-11-25-23(14)30)18-22(26-19)28(27-24(18)31)13-6-3-2-4-7-13/h5,8-11,13,26H,2-4,6-7H2,1H3,(H,25,30)(H,27,31)
InChIKeyYFRBPGHAPXNEJN-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.09
Rot. Bonds2

About 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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 71702603) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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 CID71702603
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name14-cyclohexyl-6-methyl-10-(2-oxo-1H-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C24H22N4O4/c1-12-16(29)10-9-15-19-21(32-20(12)15)17(14-8-5-11-25-23(14)30)18-22(26-19)28(27-24(18)31)13-6-3-2-4-7-13/h5,8-11,13,26H,2-4,6-7H2,1H3,(H,25,30)(H,27,31)
InChIKeyYFRBPGHAPXNEJN-UHFFFAOYSA-N
XLogP4.09
TPSA116.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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 71702603) is 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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 Cc1c(=O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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 YFRBPGHAPXNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-12-16(29)10-9-15-19-21(32-20(12)15)17(14-8-5-11-25-23(14)30)18-22(26-19)28(27-24(18)31)13-6-3-2-4-7-13/h5,8-11,13,26H,2-4,6-7H2,1H3,(H,25,30)(H,27,31).
What are the key properties of 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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-methyl-10-(2-oxo-1H-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 430.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-6-methyl-10-(2-oxo-1H-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 71702603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).