N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide

C24H25BrN4O4 — CID 122182524

IUPACN-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2cc(Br)ccc2n1)NO
InChIInChI=1S/C24H25BrN4O4/c25-16-11-12-21-19(13-16)20(24(32)28-17-7-3-1-4-8-17)14-18(27-21)15-26-22(30)9-5-2-6-10-23(31)29-33/h1,3-4,7-8,11-14,33H,2,5-6,9-10,15H2,(H,26,30)(H,28,32)(H,29,31)
InChIKeyAQYSJBOAVQBJAJ-UHFFFAOYSA-N
MW513.39 g/mol
LogP4.32
Rot. Bonds10

About N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide

N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide (PubChem CID 122182524) has the molecular formula C24H25BrN4O4 and a molecular weight of 513.39 g/mol. Its IUPAC name is N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide
PubChem CID122182524
Molecular FormulaC24H25BrN4O4
Molecular Weight513.39 g/mol
Exact Mass512.11
IUPAC NameN-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2cc(Br)ccc2n1)NO
InChIInChI=1S/C24H25BrN4O4/c25-16-11-12-21-19(13-16)20(24(32)28-17-7-3-1-4-8-17)14-18(27-21)15-26-22(30)9-5-2-6-10-23(31)29-33/h1,3-4,7-8,11-14,33H,2,5-6,9-10,15H2,(H,26,30)(H,28,32)(H,29,31)
InChIKeyAQYSJBOAVQBJAJ-UHFFFAOYSA-N
XLogP4.32
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.39
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide
CID 122182514
N'-hydroxy-N-[[4-(methylcarbamoyl)quinolin-2-yl]methyl]heptanediamide
CID 122182519
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
CID 1126008
N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71681053
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
2-anilino-5-bromo-N-phenylbenzamide
CID 23094060
6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4061427
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide?
The IUPAC name of N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide (CID 122182524) is N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide is O=C(CCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2cc(Br)ccc2n1)NO.
What is the InChIKey of N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide?
The InChIKey is AQYSJBOAVQBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O4/c25-16-11-12-21-19(13-16)20(24(32)28-17-7-3-1-4-8-17)14-18(27-21)15-26-22(30)9-5-2-6-10-23(31)29-33/h1,3-4,7-8,11-14,33H,2,5-6,9-10,15H2,(H,26,30)(H,28,32)(H,29,31).
What are the key properties of N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide?
N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide has a molecular weight of 513.39 g/mol, XLogP of 4.32, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-4-(phenylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxyheptanediamide is sourced from PubChem (CID 122182524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).