N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C16H11BrN2O3 — CID 54678831

IUPACN-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H11BrN2O3/c17-9-4-3-5-10(8-9)18-15(21)13-14(20)11-6-1-2-7-12(11)19-16(13)22/h1-8H,(H,18,21)(H2,19,20,22)
InChIKeyUCCUKBQMSKZUOG-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.25
Rot. Bonds2

About N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54678831) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54678831
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC NameN-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H11BrN2O3/c17-9-4-3-5-10(8-9)18-15(21)13-14(20)11-6-1-2-7-12(11)19-16(13)22/h1-8H,(H,18,21)(H2,19,20,22)
InChIKeyUCCUKBQMSKZUOG-UHFFFAOYSA-N
XLogP3.25
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54678831) is N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cccc(Br)c1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UCCUKBQMSKZUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-9-4-3-5-10(8-9)18-15(21)13-14(20)11-6-1-2-7-12(11)19-16(13)22/h1-8H,(H,18,21)(H2,19,20,22).
What are the key properties of N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 359.18 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54678831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).