1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H21NOS — CID 43228673

IUPAC1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCCc3cc(C)ccc32)s1
InChIInChI=1S/C18H21NOS/c1-3-15-7-9-18(21-15)17(20)12-19-10-4-5-14-11-13(2)6-8-16(14)19/h6-9,11H,3-5,10,12H2,1-2H3
InChIKeyOOSWSVNYYVVOHZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.25
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 43228673) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID43228673
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCCc3cc(C)ccc32)s1
InChIInChI=1S/C18H21NOS/c1-3-15-7-9-18(21-15)17(20)12-19-10-4-5-14-11-13(2)6-8-16(14)19/h6-9,11H,3-5,10,12H2,1-2H3
InChIKeyOOSWSVNYYVVOHZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43228672
methyl 5-ethyl-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194579
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8593411
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
N-[4-(difluoromethoxy)phenyl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593590
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 43228673) is 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CCc1ccc(C(=O)CN2CCCc3cc(C)ccc32)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is OOSWSVNYYVVOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-15-7-9-18(21-15)17(20)12-19-10-4-5-14-11-13(2)6-8-16(14)19/h6-9,11H,3-5,10,12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 299.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 43228673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).