1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one

C22H21N3O3S — CID 40679039

IUPAC1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCOc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C(=O)N3CCNC3=O)nc2c1
InChIInChI=1S/C22H21N3O3S/c1-14(21(26)25-11-10-23-22(25)27)29-20-13-18(15-6-4-3-5-7-15)17-9-8-16(28-2)12-19(17)24-20/h3-9,12-14H,10-11H2,1-2H3,(H,23,27)/t14-/m0/s1
InChIKeyXMLJUPANBOZSHR-AWEZNQCLSA-N
MW407.50 g/mol
LogP3.94
Rot. Bonds5

About 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one

1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 40679039) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID40679039
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCOc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C(=O)N3CCNC3=O)nc2c1
InChIInChI=1S/C22H21N3O3S/c1-14(21(26)25-11-10-23-22(25)27)29-20-13-18(15-6-4-3-5-7-15)17-9-8-16(28-2)12-19(17)24-20/h3-9,12-14H,10-11H2,1-2H3,(H,23,27)/t14-/m0/s1
InChIKeyXMLJUPANBOZSHR-AWEZNQCLSA-N
XLogP3.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 2548817
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25349930
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 42488590
1-[(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 40667918
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 35041841
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17402158
5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
CID 42941816
1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091670
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 24677995
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7175103
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253
1-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 55419682

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one (CID 40679039) is 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one is COc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C(=O)N3CCNC3=O)nc2c1.
What is the InChIKey of 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is XMLJUPANBOZSHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14(21(26)25-11-10-23-22(25)27)29-20-13-18(15-6-4-3-5-7-15)17-9-8-16(28-2)12-19(17)24-20/h3-9,12-14H,10-11H2,1-2H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 407.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 40679039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).