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

C20H28ClN5O4 — CID 90673597

IUPAC10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride
SMILESCCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1CC.Cl
InChIInChI=1S/C20H27N5O4.ClH/c1-3-13-11-15-16(12-14(13)4-2)25(6-5-24(7-9-26)8-10-27)18-17(21-15)19(28)23-20(29)22-18;/h11-12,26-27H,3-10H2,1-2H3,(H,23,28,29);1H
InChIKeyFDSUTPPBGJHOMM-UHFFFAOYSA-N
MW437.93 g/mol
LogP0.42
Rot. Bonds9

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

10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride (PubChem CID 90673597) has the molecular formula C20H28ClN5O4 and a molecular weight of 437.93 g/mol. Its IUPAC name is 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride
PubChem CID90673597
Molecular FormulaC20H28ClN5O4
Molecular Weight437.93 g/mol
Exact Mass437.18
IUPAC Name10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride
SMILESCCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1CC.Cl
InChIInChI=1S/C20H27N5O4.ClH/c1-3-13-11-15-16(12-14(13)4-2)25(6-5-24(7-9-26)8-10-27)18-17(21-15)19(28)23-20(29)22-18;/h11-12,26-27H,3-10H2,1-2H3,(H,23,28,29);1H
InChIKeyFDSUTPPBGJHOMM-UHFFFAOYSA-N
XLogP0.42
TPSA124.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 50.42
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-diethylbenzo[g]pteridine-2,4-dione;hydrochloride?
The IUPAC name of 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride (CID 90673597) is 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride.
What is the SMILES notation for 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride?
The canonical SMILES for 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride is CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCO)CCO)c2cc1CC.Cl.
What is the InChIKey of 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride?
The InChIKey is FDSUTPPBGJHOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4.ClH/c1-3-13-11-15-16(12-14(13)4-2)25(6-5-24(7-9-26)8-10-27)18-17(21-15)19(28)23-20(29)22-18;/h11-12,26-27H,3-10H2,1-2H3,(H,23,28,29);1H.
What are the key properties of 10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride?
10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-diethylbenzo[g]pteridine-2,4-dione;hydrochloride has a molecular weight of 437.93 g/mol, XLogP of 0.42, 9 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-diethylbenzo[g]pteridine-2,4-dione;hydrochloride is sourced from PubChem (CID 90673597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).