10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione

C14H14N4O4 — CID 101368038

IUPAC10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)O)c2cc1C
InChIInChI=1S/C14H14N4O4/c1-6-3-8-9(4-7(6)2)18(5-10(19)20)12-11(15-8)13(21)17-14(22)16-12/h3-4,10,19-20H,5H2,1-2H3,(H,17,21,22)
InChIKeyFABKSDLVJZHBGN-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.49
Rot. Bonds2

About 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione

10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 101368038) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID101368038
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)O)c2cc1C
InChIInChI=1S/C14H14N4O4/c1-6-3-8-9(4-7(6)2)18(5-10(19)20)12-11(15-8)13(21)17-14(22)16-12/h3-4,10,19-20H,5H2,1-2H3,(H,17,21,22)
InChIKeyFABKSDLVJZHBGN-UHFFFAOYSA-N
XLogP-0.49
TPSA121.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 101368038) is 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)O)c2cc1C.
What is the InChIKey of 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is FABKSDLVJZHBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-6-3-8-9(4-7(6)2)18(5-10(19)20)12-11(15-8)13(21)17-14(22)16-12/h3-4,10,19-20H,5H2,1-2H3,(H,17,21,22).
What are the key properties of 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 302.29 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 101368038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).