6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C16H19Br2N3O3 — CID 54707079

IUPAC6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C16H19Br2N3O3/c1-3-21(4-2)6-5-19-15(23)12-14(22)10-7-9(17)8-11(18)13(10)20-16(12)24/h7-8H,3-6H2,1-2H3,(H,19,23)(H2,20,22,24)
InChIKeyFPCITDKGVDOFDX-UHFFFAOYSA-N
MW461.15 g/mol
LogP2.83
Rot. Bonds6

About 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54707079) has the molecular formula C16H19Br2N3O3 and a molecular weight of 461.15 g/mol. Its IUPAC name is 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54707079
Molecular FormulaC16H19Br2N3O3
Molecular Weight461.15 g/mol
Exact Mass458.98
IUPAC Name6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C16H19Br2N3O3/c1-3-21(4-2)6-5-19-15(23)12-14(22)10-7-9(17)8-11(18)13(10)20-16(12)24/h7-8H,3-6H2,1-2H3,(H,19,23)(H2,20,22,24)
InChIKeyFPCITDKGVDOFDX-UHFFFAOYSA-N
XLogP2.83
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.15
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54675900
N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 54733002
6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide;hydrochloride
CID 126479642
3,5-dibromo-N-[2-(diethylamino)ethyl]-2-prop-2-ynoxybenzamide
CID 154093472
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 102129592
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687
N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine
CID 28992090
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54707079) is 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is CCN(CC)CCNC(=O)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O.
What is the InChIKey of 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FPCITDKGVDOFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2N3O3/c1-3-21(4-2)6-5-19-15(23)12-14(22)10-7-9(17)8-11(18)13(10)20-16(12)24/h7-8H,3-6H2,1-2H3,(H,19,23)(H2,20,22,24).
What are the key properties of 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 461.15 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54707079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).