10-(2H-chromen-3-yl)-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

C24H19N3O5 — CID 71754915

IUPAC10-(2H-chromen-3-yl)-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
SMILESCC(C)n1[nH]c(=O)c2c(C3=Cc4ccccc4OC3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C24H19N3O5/c1-11(2)27-23-18(24(30)26-27)17(13-9-12-5-3-4-6-16(12)31-10-13)22-19(25-23)14-7-8-15(28)20(29)21(14)32-22/h3-9,11,25,29H,10H2,1-2H3,(H,26,30)
InChIKeyWGYHXDHHMAEUQP-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.14
Rot. Bonds2

About 10-(2H-chromen-3-yl)-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

10-(2H-chromen-3-yl)-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 (PubChem CID 71754915) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 10-(2H-chromen-3-yl)-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.

Molecular Properties

Compound Name10-(2H-chromen-3-yl)-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
PubChem CID71754915
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name10-(2H-chromen-3-yl)-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
SMILESCC(C)n1[nH]c(=O)c2c(C3=Cc4ccccc4OC3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C24H19N3O5/c1-11(2)27-23-18(24(30)26-27)17(13-9-12-5-3-4-6-16(12)31-10-13)22-19(25-23)14-7-8-15(28)20(29)21(14)32-22/h3-9,11,25,29H,10H2,1-2H3,(H,26,30)
InChIKeyWGYHXDHHMAEUQP-UHFFFAOYSA-N
XLogP4.14
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 10-(2H-chromen-3-yl)-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 with MolForge

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Related Compounds

6-hydroxy-10,14-di(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 71754741
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
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-cycloheptyl-10-(3,4-dihydroxy-5-methoxyphenyl)-6-hydroxy-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 71755087
14-cycloheptyl-10-(3,4-dimethoxyphenyl)-6-hydroxy-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 71754878
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-cyclohexyl-10-(3,4-dihydroxyphenyl)-6-methyl-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 135635291
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
CID 101244851
1-(2H-chromen-3-yl)ethanol
CID 11389708
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 44662181
2-(2H-chromen-3-yl)pyridine
CID 10859833

Frequently Asked Questions

What is the IUPAC name of 10-(2H-chromen-3-yl)-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?
The IUPAC name of 10-(2H-chromen-3-yl)-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 71754915) is 10-(2H-chromen-3-yl)-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.
What is the SMILES notation for 10-(2H-chromen-3-yl)-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?
The canonical SMILES for 10-(2H-chromen-3-yl)-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 is CC(C)n1[nH]c(=O)c2c(C3=Cc4ccccc4OC3)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 10-(2H-chromen-3-yl)-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?
The InChIKey is WGYHXDHHMAEUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-11(2)27-23-18(24(30)26-27)17(13-9-12-5-3-4-6-16(12)31-10-13)22-19(25-23)14-7-8-15(28)20(29)21(14)32-22/h3-9,11,25,29H,10H2,1-2H3,(H,26,30).
What are the key properties of 10-(2H-chromen-3-yl)-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?
10-(2H-chromen-3-yl)-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 has a molecular weight of 429.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2H-chromen-3-yl)-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 is sourced from PubChem (CID 71754915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).