N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide

C19H23N3OS — CID 51100138

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCN1CCCc2cc(CNC(=O)CSCc3ccncc3)ccc21
InChIInChI=1S/C19H23N3OS/c1-22-10-2-3-17-11-16(4-5-18(17)22)12-21-19(23)14-24-13-15-6-8-20-9-7-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,21,23)
InChIKeyCRVOLWQQFXBGBN-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.01
Rot. Bonds6

About N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 51100138) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID51100138
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCN1CCCc2cc(CNC(=O)CSCc3ccncc3)ccc21
InChIInChI=1S/C19H23N3OS/c1-22-10-2-3-17-11-16(4-5-18(17)22)12-21-19(23)14-24-13-15-6-8-20-9-7-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,21,23)
InChIKeyCRVOLWQQFXBGBN-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92608335
(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 48980724
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51099822
cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98787032
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 53093738

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 51100138) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is CN1CCCc2cc(CNC(=O)CSCc3ccncc3)ccc21.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is CRVOLWQQFXBGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-22-10-2-3-17-11-16(4-5-18(17)22)12-21-19(23)14-24-13-15-6-8-20-9-7-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 51100138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).