10-(2,5-dimethoxyphenyl)-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

C23H21N3O5 — CID 71707173

IUPAC10-(2,5-dimethoxyphenyl)-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
SMILESCOc1ccc(OC)c(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)c1
InChIInChI=1S/C23H21N3O5/c1-11(2)26-22-19(23(28)25-26)18(15-10-13(29-3)6-8-16(15)30-4)21-20(24-22)14-7-5-12(27)9-17(14)31-21/h5-11,24H,1-4H3,(H,25,28)
InChIKeyZOKKCOUMRXRGTJ-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.18
Rot. Bonds4

About 10-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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 71707173) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 10-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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 CID71707173
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name10-(2,5-dimethoxyphenyl)-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
SMILESCOc1ccc(OC)c(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)c1
InChIInChI=1S/C23H21N3O5/c1-11(2)26-22-19(23(28)25-26)18(15-10-13(29-3)6-8-16(15)30-4)21-20(24-22)14-7-5-12(27)9-17(14)31-21/h5-11,24H,1-4H3,(H,25,28)
InChIKeyZOKKCOUMRXRGTJ-UHFFFAOYSA-N
XLogP4.18
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 10-(2,5-dimethoxyphenyl)-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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Related Compounds

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
14-propan-2-yl-10-thiophen-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 71708125
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 71754298
14-cyclohexyl-10-(7-methoxy-2-oxo-1H-quinolin-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 71700593
10-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-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 71706073
4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
CID 118156079
10-(4-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-hexaen-5-one
CID 71826500
14-cyclopentyl-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-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 71704416
6-methoxy-1-propan-2-yl-2H-indazol-3-one
CID 105458890
10-(4-bromophenyl)-6-hydroxy-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 71709293
2-[4-(14-cycloheptyl-5,12-dioxo-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaen-10-yl)-2-methoxyphenoxy]acetic acid
CID 71701641
10-(3,4-difluorophenyl)-6-hydroxy-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 71706233

Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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 71707173) is 10-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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 COc1ccc(OC)c(-c2c3oc4cc(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)c1.
What is the InChIKey of 10-(2,5-dimethoxyphenyl)-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 ZOKKCOUMRXRGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-11(2)26-22-19(23(28)25-26)18(15-10-13(29-3)6-8-16(15)30-4)21-20(24-22)14-7-5-12(27)9-17(14)31-21/h5-11,24H,1-4H3,(H,25,28).
What are the key properties of 10-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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 419.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dimethoxyphenyl)-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 71707173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).