1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C20H22N2O3S — CID 87025187

IUPAC1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCOc1ccc(SC(C)C(=O)N2CCCc3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-13(26-15-10-8-14(25-2)9-11-15)20(24)22-12-4-6-16-17(19(21)23)5-3-7-18(16)22/h3,5,7-11,13H,4,6,12H2,1-2H3,(H2,21,23)
InChIKeyDGEQFYQUBRDSSS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.25
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 87025187) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID87025187
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCOc1ccc(SC(C)C(=O)N2CCCc3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-13(26-15-10-8-14(25-2)9-11-15)20(24)22-12-4-6-16-17(19(21)23)5-3-7-18(16)22/h3,5,7-11,13H,4,6,12H2,1-2H3,(H2,21,23)
InChIKeyDGEQFYQUBRDSSS-UHFFFAOYSA-N
XLogP3.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 87025187) is 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide is COc1ccc(SC(C)C(=O)N2CCCc3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is DGEQFYQUBRDSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(26-15-10-8-14(25-2)9-11-15)20(24)22-12-4-6-16-17(19(21)23)5-3-7-18(16)22/h3,5,7-11,13H,4,6,12H2,1-2H3,(H2,21,23).
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 87025187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).