N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

C23H20N4O3S — CID 5224113

IUPACN-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)cc1
InChIInChI=1S/C23H20N4O3S/c1-27-12-11-24-23(27)22(29)18-13-21(26-19-6-4-3-5-17(18)19)31-14-20(28)25-15-7-9-16(30-2)10-8-15/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyKZKRGXABUVRKKL-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.94
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide

N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (PubChem CID 5224113) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
PubChem CID5224113
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)cc1
InChIInChI=1S/C23H20N4O3S/c1-27-12-11-24-23(27)22(29)18-13-21(26-19-6-4-3-5-17(18)19)31-14-20(28)25-15-7-9-16(30-2)10-8-15/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyKZKRGXABUVRKKL-UHFFFAOYSA-N
XLogP3.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide (CID 5224113) is N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
The InChIKey is KZKRGXABUVRKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-27-12-11-24-23(27)22(29)18-13-21(26-19-6-4-3-5-17(18)19)31-14-20(28)25-15-7-9-16(30-2)10-8-15/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide has a molecular weight of 432.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 5224113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).