10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione

C18H22N4O3 — CID 10410619

IUPAC10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCCO)c2cc1C
InChIInChI=1S/C18H22N4O3/c1-11-9-13-14(10-12(11)2)22(7-5-3-4-6-8-23)16-15(19-13)17(24)21-18(25)20-16/h9-10,23H,3-8H2,1-2H3,(H,21,24,25)
InChIKeyYLAMFRBBTBRECN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.75
Rot. Bonds6

About 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione

10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 10410619) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID10410619
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCCO)c2cc1C
InChIInChI=1S/C18H22N4O3/c1-11-9-13-14(10-12(11)2)22(7-5-3-4-6-8-23)16-15(19-13)17(24)21-18(25)20-16/h9-10,23H,3-8H2,1-2H3,(H,21,24,25)
InChIKeyYLAMFRBBTBRECN-UHFFFAOYSA-N
XLogP1.75
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 10410619) is 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCCO)c2cc1C.
What is the InChIKey of 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is YLAMFRBBTBRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-9-13-14(10-12(11)2)22(7-5-3-4-6-8-23)16-15(19-13)17(24)21-18(25)20-16/h9-10,23H,3-8H2,1-2H3,(H,21,24,25).
What are the key properties of 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 10410619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).