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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Related Compounds

CID 2441315
CID 2441315
CID 2441633
CID 2441633
CID 3155501
CID 3155501
CID 42605457
CID 42605457
CID 42606718
CID 42606718
CID 42606720
CID 42606720
CID 42606833
CID 42606833
CID 42606835
CID 42606835
CID 42606950
CID 42606950
CID 42606954
CID 42606954
CID 42607057
CID 42607057
CID 42607061
CID 42607061

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).