1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline

C19H21NS — CID 79312047

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(CC2CSc3ccccc32)C1
InChIInChI=1S/C19H21NS/c1-14-10-15-6-2-4-8-18(15)20(11-14)12-16-13-21-19-9-5-3-7-17(16)19/h2-9,14,16H,10-13H2,1H3
InChIKeyPWZJDBPLGUWKCS-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.57
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 79312047) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID79312047
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(CC2CSc3ccccc32)C1
InChIInChI=1S/C19H21NS/c1-14-10-15-6-2-4-8-18(15)20(11-14)12-16-13-21-19-9-5-3-7-17(16)19/h2-9,14,16H,10-13H2,1H3
InChIKeyPWZJDBPLGUWKCS-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpyrrolidin-2-one
CID 79349638
2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-amine
CID 63494357
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylpyrrolidin-2-one
CID 113421218
2,2-dimethyl-6-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-ol
CID 79843525
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 79349643
2-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 55222667
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylpiperazine-2,3-dione
CID 79348509
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-ene-1-thiol
CID 103073178

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline (CID 79312047) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N(CC2CSc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is PWZJDBPLGUWKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-14-10-15-6-2-4-8-18(15)20(11-14)12-16-13-21-19-9-5-3-7-17(16)19/h2-9,14,16H,10-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 295.45 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 79312047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).