(E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide

C18H14N2O2S — CID 175473654

IUPAC(E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Sc2cccc3ncccc23)c1)NO
InChIInChI=1S/C18H14N2O2S/c21-18(20-22)10-9-13-4-1-5-14(12-13)23-17-8-2-7-16-15(17)6-3-11-19-16/h1-12,22H,(H,20,21)/b10-9+
InChIKeyAYWUHUYLRKTDOV-MDZDMXLPSA-N
MW322.39 g/mol
LogP3.90
Rot. Bonds4

About (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide

(E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide (PubChem CID 175473654) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide
PubChem CID175473654
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name(E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Sc2cccc3ncccc23)c1)NO
InChIInChI=1S/C18H14N2O2S/c21-18(20-22)10-9-13-4-1-5-14(12-13)23-17-8-2-7-16-15(17)6-3-11-19-16/h1-12,22H,(H,20,21)/b10-9+
InChIKeyAYWUHUYLRKTDOV-MDZDMXLPSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-(3-isoquinolin-8-ylsulfanylphenyl)prop-2-enamide
CID 175473659
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
CID 952560
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
(E)-3-(3-aminophenyl)-N-(3-bromo-2-pyridinyl)prop-2-enamide
CID 115344427
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775351
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-[3-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 88915064
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide (CID 175473654) is (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide is O=C(/C=C/c1cccc(Sc2cccc3ncccc23)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide?
The InChIKey is AYWUHUYLRKTDOV-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(20-22)10-9-13-4-1-5-14(12-13)23-17-8-2-7-16-15(17)6-3-11-19-16/h1-12,22H,(H,20,21)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide has a molecular weight of 322.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(3-quinolin-5-ylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 175473654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).