4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide

C20H18BrN3O2 — CID 11632955

IUPAC4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
SMILESC/C(=C\c1ccc(C(=O)NO)cc1)CNc1cnc2c(Br)cccc2c1
InChIInChI=1S/C20H18BrN3O2/c1-13(9-14-5-7-15(8-6-14)20(25)24-26)11-22-17-10-16-3-2-4-18(21)19(16)23-12-17/h2-10,12,22,26H,11H2,1H3,(H,24,25)/b13-9+
InChIKeyJSVSHZALVLCLJD-UKTHLTGXSA-N
MW412.29 g/mol
LogP4.63
Rot. Bonds5

About 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide

4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide (PubChem CID 11632955) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
PubChem CID11632955
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
SMILESC/C(=C\c1ccc(C(=O)NO)cc1)CNc1cnc2c(Br)cccc2c1
InChIInChI=1S/C20H18BrN3O2/c1-13(9-14-5-7-15(8-6-14)20(25)24-26)11-22-17-10-16-3-2-4-18(21)19(16)23-12-17/h2-10,12,22,26H,11H2,1H3,(H,24,25)/b13-9+
InChIKeyJSVSHZALVLCLJD-UKTHLTGXSA-N
XLogP4.63
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide (CID 11632955) is 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide is C/C(=C\c1ccc(C(=O)NO)cc1)CNc1cnc2c(Br)cccc2c1.
What is the InChIKey of 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
The InChIKey is JSVSHZALVLCLJD-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-13(9-14-5-7-15(8-6-14)20(25)24-26)11-22-17-10-16-3-2-4-18(21)19(16)23-12-17/h2-10,12,22,26H,11H2,1H3,(H,24,25)/b13-9+.
What are the key properties of 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide has a molecular weight of 412.29 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[(8-bromoquinolin-3-yl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide is sourced from PubChem (CID 11632955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).