1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine

C18H18N2S — CID 63737555

IUPAC1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(Cc1csc3ccccc13)CCC2
InChIInChI=1S/C18H18N2S/c19-15-8-7-13-4-3-9-20(17(13)10-15)11-14-12-21-18-6-2-1-5-16(14)18/h1-2,5-8,10,12H,3-4,9,11,19H2
InChIKeyBLHUGQYAOZZSJT-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.44
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine

1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 63737555) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID63737555
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(Cc1csc3ccccc13)CCC2
InChIInChI=1S/C18H18N2S/c19-15-8-7-13-4-3-9-20(17(13)10-15)11-14-12-21-18-6-2-1-5-16(14)18/h1-2,5-8,10,12H,3-4,9,11,19H2
InChIKeyBLHUGQYAOZZSJT-UHFFFAOYSA-N
XLogP4.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
CID 83211596
1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
CID 79231157
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 66419132
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206
1-(1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepan-2-one
CID 63736749
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 29080631
1-[(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
CID 63986501
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine
CID 63773328
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
4-(1-benzothiophen-3-ylmethylsulfanyl)-3-methylaniline
CID 55230519

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine (CID 63737555) is 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(Cc1csc3ccccc13)CCC2.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is BLHUGQYAOZZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c19-15-8-7-13-4-3-9-20(17(13)10-15)11-14-12-21-18-6-2-1-5-16(14)18/h1-2,5-8,10,12H,3-4,9,11,19H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine?
1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 294.42 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 63737555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).