10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

C18H23N5O4 — CID 90673592

IUPAC10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1C
InChIInChI=1S/C18H23N5O4/c1-11-9-13-14(10-12(11)2)23(4-3-22(5-7-24)6-8-25)16-15(19-13)17(26)21-18(27)20-16/h9-10,24-25H,3-8H2,1-2H3,(H,21,26,27)
InChIKeyBJTUJKABPAQQHJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP-0.51
Rot. Bonds7

About 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 90673592) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID90673592
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1C
InChIInChI=1S/C18H23N5O4/c1-11-9-13-14(10-12(11)2)23(4-3-22(5-7-24)6-8-25)16-15(19-13)17(26)21-18(27)20-16/h9-10,24-25H,3-8H2,1-2H3,(H,21,26,27)
InChIKeyBJTUJKABPAQQHJ-UHFFFAOYSA-N
XLogP-0.51
TPSA124.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 90673592) is 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1C.
What is the InChIKey of 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is BJTUJKABPAQQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-11-9-13-14(10-12(11)2)23(4-3-22(5-7-24)6-8-25)16-15(19-13)17(26)21-18(27)20-16/h9-10,24-25H,3-8H2,1-2H3,(H,21,26,27).
What are the key properties of 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 90673592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).