5,7-dibromoquinolin-8-ol;1H-quinolin-2-one

C18H12Br2N2O2 — CID 158836094

IUPAC5,7-dibromoquinolin-8-ol;1H-quinolin-2-one
SMILESO=c1ccc2ccccc2[nH]1.Oc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C9H5Br2NO.C9H7NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4,13H;1-6H,(H,10,11)
InChIKeyIXQRQKZEQYWOEO-UHFFFAOYSA-N
MW448.11 g/mol
LogP4.99
Rot. Bonds

About 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one

5,7-dibromoquinolin-8-ol;1H-quinolin-2-one (PubChem CID 158836094) has the molecular formula C18H12Br2N2O2 and a molecular weight of 448.11 g/mol. Its IUPAC name is 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dibromoquinolin-8-ol;1H-quinolin-2-one
PubChem CID158836094
Molecular FormulaC18H12Br2N2O2
Molecular Weight448.11 g/mol
Exact Mass445.93
IUPAC Name5,7-dibromoquinolin-8-ol;1H-quinolin-2-one
SMILESO=c1ccc2ccccc2[nH]1.Oc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C9H5Br2NO.C9H7NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4,13H;1-6H,(H,10,11)
InChIKeyIXQRQKZEQYWOEO-UHFFFAOYSA-N
XLogP4.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.11
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one?
The IUPAC name of 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one (CID 158836094) is 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one.
What is the SMILES notation for 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one?
The canonical SMILES for 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one is O=c1ccc2ccccc2[nH]1.Oc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one?
The InChIKey is IXQRQKZEQYWOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO.C9H7NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4,13H;1-6H,(H,10,11).
What are the key properties of 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one?
5,7-dibromoquinolin-8-ol;1H-quinolin-2-one has a molecular weight of 448.11 g/mol, XLogP of 4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromoquinolin-8-ol;1H-quinolin-2-one is sourced from PubChem (CID 158836094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).