N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine

C19H18N2S — CID 110432448

IUPACN-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESCC(Nc1c2c(nc3ccccc13)CSC2)c1ccccc1
InChIInChI=1S/C19H18N2S/c1-13(14-7-3-2-4-8-14)20-19-15-9-5-6-10-17(15)21-18-12-22-11-16(18)19/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyWPSDDKKONURINV-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.15
Rot. Bonds3

About N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine

N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine (PubChem CID 110432448) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
PubChem CID110432448
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC NameN-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESCC(Nc1c2c(nc3ccccc13)CSC2)c1ccccc1
InChIInChI=1S/C19H18N2S/c1-13(14-7-3-2-4-8-14)20-19-15-9-5-6-10-17(15)21-18-12-22-11-16(18)19/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyWPSDDKKONURINV-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435268
methyl 4-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)benzoate
CID 110435280
N-[4,4-bis(4-fluorophenyl)butyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 54433537
1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
CID 70088815
N,N-dipropyl-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110433974
1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine
CID 19592226
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
N-(1-phenylethyl)quinolin-5-amine
CID 43177987
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777350
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The IUPAC name of N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine (CID 110432448) is N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine.
What is the SMILES notation for N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The canonical SMILES for N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine is CC(Nc1c2c(nc3ccccc13)CSC2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The InChIKey is WPSDDKKONURINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c1-13(14-7-3-2-4-8-14)20-19-15-9-5-6-10-17(15)21-18-12-22-11-16(18)19/h2-10,13H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine has a molecular weight of 306.43 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine is sourced from PubChem (CID 110432448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).