2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate

C17H18ClN5O4 — CID 166558310

IUPAC2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(CC)cc21
InChIInChI=1S/C17H18ClN5O4/c1-3-9-7-12-11(8-10(9)18)20-13-14(21-16(25)22-15(13)24)23(12)5-6-27-17(26)19-4-2/h7-8H,3-6H2,1-2H3,(H,19,26)(H,22,24,25)
InChIKeyHQAKOINFPJZEDF-UHFFFAOYSA-N
MW391.82 g/mol
LogP1.55
Rot. Bonds5

About 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate

2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate (PubChem CID 166558310) has the molecular formula C17H18ClN5O4 and a molecular weight of 391.82 g/mol. Its IUPAC name is 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate
PubChem CID166558310
Molecular FormulaC17H18ClN5O4
Molecular Weight391.82 g/mol
Exact Mass391.10
IUPAC Name2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(CC)cc21
InChIInChI=1S/C17H18ClN5O4/c1-3-9-7-12-11(8-10(9)18)20-13-14(21-16(25)22-15(13)24)23(12)5-6-27-17(26)19-4-2/h7-8H,3-6H2,1-2H3,(H,19,26)(H,22,24,25)
InChIKeyHQAKOINFPJZEDF-UHFFFAOYSA-N
XLogP1.55
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-chloro-10-[2-(2,2-dimethylpropoxy)ethyl]-8-ethylbenzo[g]pteridine-2,4-dione
CID 166558328
7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 176777977
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 89311042
8-ethyl-7-propyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
CID 91307659
3-[10-[3-(4-chlorophenyl)propyl]-7-methyl-2,4-dioxobenzo[g]pteridin-8-yl]propanamide
CID 89396216
6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide
CID 86663571
7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 102212998
ethyl 7-[7-methyl-2,4-dioxo-8-(trifluoromethyl)benzo[g]pteridin-10-yl]heptanoate
CID 71538608
tert-butyl 2-[4-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)butylamino]-2-methylpropanoate
CID 87168731
8-chloro-7-methyl-10-[2-[(4-methylphenyl)methylamino]ethyl]benzo[g]pteridine-2,4-dione
CID 143941765
10-heptyl-7-methyl-8-propan-2-ylbenzo[g]pteridine-2,4-dione
CID 91207684
7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 88580586

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate?
The IUPAC name of 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate (CID 166558310) is 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate.
What is the SMILES notation for 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate?
The canonical SMILES for 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate is CCNC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(CC)cc21.
What is the InChIKey of 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate?
The InChIKey is HQAKOINFPJZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O4/c1-3-9-7-12-11(8-10(9)18)20-13-14(21-16(25)22-15(13)24)23(12)5-6-27-17(26)19-4-2/h7-8H,3-6H2,1-2H3,(H,19,26)(H,22,24,25).
What are the key properties of 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate?
2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate has a molecular weight of 391.82 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-8-ethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl N-ethylcarbamate is sourced from PubChem (CID 166558310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).