2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

C21H24N2O2S — CID 18125374

IUPAC2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCCc2cc(OC)ccc21
InChIInChI=1S/C21H24N2O2S/c1-3-13-26-20-9-5-4-8-18(20)22-21(24)15-23-12-6-7-16-14-17(25-2)10-11-19(16)23/h3-5,8-11,14H,1,6-7,12-13,15H2,2H3,(H,22,24)
InChIKeyVNJWXCOSKWNQOR-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.36
Rot. Bonds7

About 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 18125374) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID18125374
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCCc2cc(OC)ccc21
InChIInChI=1S/C21H24N2O2S/c1-3-13-26-20-9-5-4-8-18(20)22-21(24)15-23-12-6-7-16-14-17(25-2)10-11-19(16)23/h3-5,8-11,14H,1,6-7,12-13,15H2,2H3,(H,22,24)
InChIKeyVNJWXCOSKWNQOR-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 18125374) is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CN1CCCc2cc(OC)ccc21.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is VNJWXCOSKWNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-13-26-20-9-5-4-8-18(20)22-21(24)15-23-12-6-7-16-14-17(25-2)10-11-19(16)23/h3-5,8-11,14H,1,6-7,12-13,15H2,2H3,(H,22,24).
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 368.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 18125374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).