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

C17H11Br2ClN2O3 — CID 54675900

IUPAC6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C17H11Br2ClN2O3/c18-9-5-10-14(11(19)6-9)22-17(25)13(15(10)23)16(24)21-7-8-3-1-2-4-12(8)20/h1-6H,7H2,(H,21,24)(H2,22,23,25)
InChIKeyFJWIUXFWXNBGET-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.34
Rot. Bonds3

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

6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54675900) has the molecular formula C17H11Br2ClN2O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54675900
Molecular FormulaC17H11Br2ClN2O3
Molecular Weight486.55 g/mol
Exact Mass483.88
IUPAC Name6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C17H11Br2ClN2O3/c18-9-5-10-14(11(19)6-9)22-17(25)13(15(10)23)16(24)21-7-8-3-1-2-4-12(8)20/h1-6H,7H2,(H,21,24)(H2,22,23,25)
InChIKeyFJWIUXFWXNBGET-UHFFFAOYSA-N
XLogP4.34
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54707079
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
2,3,4,5-tetrachloro-6-[(2-chlorophenyl)methylcarbamoyl]benzoic acid
CID 134114216
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 112992648
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54703015
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54675900) is 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccccc1Cl)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O.
What is the InChIKey of 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FJWIUXFWXNBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2ClN2O3/c18-9-5-10-14(11(19)6-9)22-17(25)13(15(10)23)16(24)21-7-8-3-1-2-4-12(8)20/h1-6H,7H2,(H,21,24)(H2,22,23,25).
What are the key properties of 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54675900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).