3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide

C16H16N4OS — CID 47074240

IUPAC3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
SMILESCn1ccnc1SCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H16N4OS/c1-20-10-9-18-16(20)22-11-7-14(21)19-13-6-2-4-12-5-3-8-17-15(12)13/h2-6,8-10H,7,11H2,1H3,(H,19,21)
InChIKeyLFNSKOAAJHCYHU-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.09
Rot. Bonds5

About 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide

3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide (PubChem CID 47074240) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
PubChem CID47074240
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
SMILESCn1ccnc1SCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H16N4OS/c1-20-10-9-18-16(20)22-11-7-14(21)19-13-6-2-4-12-5-3-8-17-15(12)13/h2-6,8-10H,7,11H2,1H3,(H,19,21)
InChIKeyLFNSKOAAJHCYHU-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide
CID 155797476
N-quinolin-8-ylundecanamide
CID 3567928
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 23973496
N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 51096694
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
N-quinolin-8-ylhex-3-enamide
CID 151663814
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide (CID 47074240) is 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide is Cn1ccnc1SCCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide?
The InChIKey is LFNSKOAAJHCYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20-10-9-18-16(20)22-11-7-14(21)19-13-6-2-4-12-5-3-8-17-15(12)13/h2-6,8-10H,7,11H2,1H3,(H,19,21).
What are the key properties of 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide?
3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide has a molecular weight of 312.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 47074240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).