8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione

C18H23N5O7 — CID 91489119

IUPAC8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NCCO
InChIInChI=1S/C18H23N5O7/c1-8-4-10-11(5-9(8)19-2-3-24)23(6-12(26)15(28)13(27)7-25)16-14(20-10)17(29)22-18(30)21-16/h4-5,12-13,15,19,24-28H,2-3,6-7H2,1H3,(H,22,29,30)
InChIKeySTYHKSJAZBOYGZ-UHFFFAOYSA-N
MW421.41 g/mol
LogP-2.63
Rot. Bonds8

About 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione

8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione (PubChem CID 91489119) has the molecular formula C18H23N5O7 and a molecular weight of 421.41 g/mol. Its IUPAC name is 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
PubChem CID91489119
Molecular FormulaC18H23N5O7
Molecular Weight421.41 g/mol
Exact Mass421.16
IUPAC Name8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NCCO
InChIInChI=1S/C18H23N5O7/c1-8-4-10-11(5-9(8)19-2-3-24)23(6-12(26)15(28)13(27)7-25)16-14(20-10)17(29)22-18(30)21-16/h4-5,12-13,15,19,24-28H,2-3,6-7H2,1H3,(H,22,29,30)
InChIKeySTYHKSJAZBOYGZ-UHFFFAOYSA-N
XLogP-2.63
TPSA193.82 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500421.41
LogP ≤ 5-2.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione (CID 91489119) is 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1NCCO.
What is the InChIKey of 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
The InChIKey is STYHKSJAZBOYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O7/c1-8-4-10-11(5-9(8)19-2-3-24)23(6-12(26)15(28)13(27)7-25)16-14(20-10)17(29)22-18(30)21-16/h4-5,12-13,15,19,24-28H,2-3,6-7H2,1H3,(H,22,29,30).
What are the key properties of 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione?
8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione has a molecular weight of 421.41 g/mol, XLogP of -2.63, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91489119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).