4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide

C17H15BrN2O3 — CID 164609818

IUPAC4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CCc3cc(Br)ccc32)cc1
InChIInChI=1S/C17H15BrN2O3/c18-14-6-7-15-13(9-14)5-8-16(21)20(15)10-11-1-3-12(4-2-11)17(22)19-23/h1-4,6-7,9,23H,5,8,10H2,(H,19,22)
InChIKeyJPJFUWDPIOTPKO-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.05
Rot. Bonds3

About 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide

4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 164609818) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID164609818
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CCc3cc(Br)ccc32)cc1
InChIInChI=1S/C17H15BrN2O3/c18-14-6-7-15-13(9-14)5-8-16(21)20(15)10-11-1-3-12(4-2-11)17(22)19-23/h1-4,6-7,9,23H,5,8,10H2,(H,19,22)
InChIKeyJPJFUWDPIOTPKO-UHFFFAOYSA-N
XLogP3.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 22576597
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 60597542
1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79784832
7-bromo-1-[(4-methylphenyl)methyl]-5H-4,1-benzoxazepin-2-one
CID 71447397
1-[[4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55915537
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926847
4-(5,6-dihydrobenzo[b][1]benzazepin-11-ylmethyl)-N'-hydroxybenzohydrazide
CID 118650708

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide (CID 164609818) is 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)CCc3cc(Br)ccc32)cc1.
What is the InChIKey of 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is JPJFUWDPIOTPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-14-6-7-15-13(9-14)5-8-16(21)20(15)10-11-1-3-12(4-2-11)17(22)19-23/h1-4,6-7,9,23H,5,8,10H2,(H,19,22).
What are the key properties of 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide?
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 375.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 164609818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).