2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate

C13H11Br2NO3 — CID 21069694

IUPAC2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
SMILESCOC(=O)OCCc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C13H11Br2NO3/c1-18-13(17)19-6-4-9-11(15)7-10(14)8-3-2-5-16-12(8)9/h2-3,5,7H,4,6H2,1H3
InChIKeyQWVVXVMHZOYKFU-UHFFFAOYSA-N
MW389.04 g/mol
LogP4.09
Rot. Bonds3

About 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate

2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate (PubChem CID 21069694) has the molecular formula C13H11Br2NO3 and a molecular weight of 389.04 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
PubChem CID21069694
Molecular FormulaC13H11Br2NO3
Molecular Weight389.04 g/mol
Exact Mass386.91
IUPAC Name2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
SMILESCOC(=O)OCCc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C13H11Br2NO3/c1-18-13(17)19-6-4-9-11(15)7-10(14)8-3-2-5-16-12(8)9/h2-3,5,7H,4,6H2,1H3
InChIKeyQWVVXVMHZOYKFU-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.04
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5,7-dibromo-8-methoxyquinoline
CID 10805403
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide
CID 63569614
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
2-amino-3-(8-bromo-6-fluoroquinolin-5-yl)propanoic acid
CID 146566823
methyl (E)-3-(5-bromoquinolin-8-yl)prop-2-enoate
CID 112618007
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
4-(5,7-dibromoquinolin-8-yl)oxy-N-propylbutan-1-amine
CID 62597073

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate (CID 21069694) is 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate is COC(=O)OCCc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate?
The InChIKey is QWVVXVMHZOYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO3/c1-18-13(17)19-6-4-9-11(15)7-10(14)8-3-2-5-16-12(8)9/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate?
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate has a molecular weight of 389.04 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate is sourced from PubChem (CID 21069694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).