6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione

C24H24N4O6 — CID 4868667

IUPAC6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cc(-n2c(O)c(C3NCCc4c3[nH]c3ccccc43)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C24H24N4O6/c1-32-16-10-12(11-17(33-2)21(16)34-3)28-23(30)18(22(29)27-24(28)31)20-19-14(8-9-25-20)13-6-4-5-7-15(13)26-19/h4-7,10-11,20,25-26,30H,8-9H2,1-3H3,(H,27,29,31)
InChIKeyIVCKKVDJILCRNG-UHFFFAOYSA-N
MW464.48 g/mol
LogP1.97
Rot. Bonds5

About 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione

6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione (PubChem CID 4868667) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione
PubChem CID4868667
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cc(-n2c(O)c(C3NCCc4c3[nH]c3ccccc43)c(=O)[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C24H24N4O6/c1-32-16-10-12(11-17(33-2)21(16)34-3)28-23(30)18(22(29)27-24(28)31)20-19-14(8-9-25-20)13-6-4-5-7-15(13)26-19/h4-7,10-11,20,25-26,30H,8-9H2,1-3H3,(H,27,29,31)
InChIKeyIVCKKVDJILCRNG-UHFFFAOYSA-N
XLogP1.97
TPSA130.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione (CID 4868667) is 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione is COc1cc(-n2c(O)c(C3NCCc4c3[nH]c3ccccc43)c(=O)[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is IVCKKVDJILCRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-32-16-10-12(11-17(33-2)21(16)34-3)28-23(30)18(22(29)27-24(28)31)20-19-14(8-9-25-20)13-6-4-5-7-15(13)26-19/h4-7,10-11,20,25-26,30H,8-9H2,1-3H3,(H,27,29,31).
What are the key properties of 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 464.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4868667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).