N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C19H15BrN2O3 — CID 54682095

IUPACN-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c(O)c2ccccc21
InChIInChI=1S/C19H15BrN2O3/c1-2-10-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-13-7-5-6-12(20)11-13/h2-9,11,23H,1,10H2,(H,21,24)
InChIKeyJBHWGNHMSLIQDZ-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.91
Rot. Bonds4

About N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54682095) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54682095
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC NameN-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c(O)c2ccccc21
InChIInChI=1S/C19H15BrN2O3/c1-2-10-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-13-7-5-6-12(20)11-13/h2-9,11,23H,1,10H2,(H,21,24)
InChIKeyJBHWGNHMSLIQDZ-UHFFFAOYSA-N
XLogP3.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54680049
N-(2-bromo-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682097
N-(2-chloroethyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54684051
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
CID 54676603
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54707022
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54719467
6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163937820
diethyl-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl]-prop-2-enylazanium iodide
CID 54728780

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54682095) is N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c(O)c2ccccc21.
What is the InChIKey of N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is JBHWGNHMSLIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c1-2-10-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-13-7-5-6-12(20)11-13/h2-9,11,23H,1,10H2,(H,21,24).
What are the key properties of N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 399.24 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54682095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).