N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide

C18H16BrN3O2 — CID 133370340

IUPACN-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide
SMILESO=C(NCCNc1ccc2cccc(Br)c2n1)c1ccc(O)cc1
InChIInChI=1S/C18H16BrN3O2/c19-15-3-1-2-12-6-9-16(22-17(12)15)20-10-11-21-18(24)13-4-7-14(23)8-5-13/h1-9,23H,10-11H2,(H,20,22)(H,21,24)
InChIKeyGHOPSBNXMLZYIS-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.54
Rot. Bonds5

About N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide

N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide (PubChem CID 133370340) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide
PubChem CID133370340
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide
SMILESO=C(NCCNc1ccc2cccc(Br)c2n1)c1ccc(O)cc1
InChIInChI=1S/C18H16BrN3O2/c19-15-3-1-2-12-6-9-16(22-17(12)15)20-10-11-21-18(24)13-4-7-14(23)8-5-13/h1-9,23H,10-11H2,(H,20,22)(H,21,24)
InChIKeyGHOPSBNXMLZYIS-UHFFFAOYSA-N
XLogP3.54
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244
1-(4-acetylpiperazin-1-yl)-3-[(8-bromoquinolin-2-yl)amino]propan-1-one
CID 133370407
4-hydroxy-N-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 133371352
4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 133392057
4-hydroxy-N-(2-sulfamoylethyl)benzamide
CID 43552549
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71991071
8-bromo-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]quinolin-2-amine
CID 133390364
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide (CID 133370340) is N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide is O=C(NCCNc1ccc2cccc(Br)c2n1)c1ccc(O)cc1.
What is the InChIKey of N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide?
The InChIKey is GHOPSBNXMLZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-3-1-2-12-6-9-16(22-17(12)15)20-10-11-21-18(24)13-4-7-14(23)8-5-13/h1-9,23H,10-11H2,(H,20,22)(H,21,24).
What are the key properties of N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide?
N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8-bromoquinolin-2-yl)amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 133370340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).