8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione

C22H29N5O3 — CID 88580571

IUPAC8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione
SMILESC=C(O)CCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(N(C)C)cc21
InChIInChI=1S/C22H29N5O3/c1-14-12-16-18(13-17(14)26(3)4)27(11-9-7-5-6-8-10-15(2)28)20-19(23-16)21(29)25-22(30)24-20/h12-13,28H,2,5-11H2,1,3-4H3,(H,25,29,30)
InChIKeyKTNXZICTJXHPDK-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.37
Rot. Bonds9

About 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione

8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione (PubChem CID 88580571) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione
PubChem CID88580571
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione
SMILESC=C(O)CCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(N(C)C)cc21
InChIInChI=1S/C22H29N5O3/c1-14-12-16-18(13-17(14)26(3)4)27(11-9-7-5-6-8-10-15(2)28)20-19(23-16)21(29)25-22(30)24-20/h12-13,28H,2,5-11H2,1,3-4H3,(H,25,29,30)
InChIKeyKTNXZICTJXHPDK-UHFFFAOYSA-N
XLogP3.37
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione (CID 88580571) is 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione is C=C(O)CCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(N(C)C)cc21.
What is the InChIKey of 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione?
The InChIKey is KTNXZICTJXHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-12-16-18(13-17(14)26(3)4)27(11-9-7-5-6-8-10-15(2)28)20-19(23-16)21(29)25-22(30)24-20/h12-13,28H,2,5-11H2,1,3-4H3,(H,25,29,30).
What are the key properties of 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione?
8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione has a molecular weight of 411.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-10-(8-hydroxynon-8-enyl)-7-methylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 88580571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).