6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one

C12H11NOS — CID 169455919

IUPAC6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(C=CCS)cc12
InChIInChI=1S/C12H11NOS/c14-12-5-6-13-11-4-3-9(2-1-7-15)8-10(11)12/h1-6,8,15H,7H2,(H,13,14)
InChIKeyGAMNHWLQSBZQJE-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.47
Rot. Bonds2

About 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one

6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one (PubChem CID 169455919) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
PubChem CID169455919
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(C=CCS)cc12
InChIInChI=1S/C12H11NOS/c14-12-5-6-13-11-4-3-9(2-1-7-15)8-10(11)12/h1-6,8,15H,7H2,(H,13,14)
InChIKeyGAMNHWLQSBZQJE-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one
CID 169474322
methyl 4-(4-oxo-1H-quinolin-6-yl)but-3-enoate
CID 170501646
2-methyl-6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
CID 169455964
S-[4-(4-oxo-1H-quinolin-7-yl)but-3-enyl] ethanethioate
CID 170480883
N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
CID 169466219
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
methyl 4-(4-oxo-1H-quinolin-7-yl)but-3-enoate
CID 170501649
3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol
CID 169456122
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
6-(3-sulfanylprop-1-enyl)-1H-indole-2,3-dione
CID 169455910
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605

Frequently Asked Questions

What is the IUPAC name of 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one?
The IUPAC name of 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one (CID 169455919) is 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one?
The canonical SMILES for 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one is O=c1cc[nH]c2ccc(C=CCS)cc12.
What is the InChIKey of 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one?
The InChIKey is GAMNHWLQSBZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-12-5-6-13-11-4-3-9(2-1-7-15)8-10(11)12/h1-6,8,15H,7H2,(H,13,14).
What are the key properties of 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one?
6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one has a molecular weight of 217.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one is sourced from PubChem (CID 169455919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).