1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline

C23H25NS — CID 139256208

IUPAC1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)c1ccc(N2CCCc3cc(-c4cccs4)ccc32)cc1
InChIInChI=1S/C23H25NS/c1-23(2,3)19-9-11-20(12-10-19)24-14-4-6-17-16-18(8-13-21(17)24)22-7-5-15-25-22/h5,7-13,15-16H,4,6,14H2,1-3H3
InChIKeyTUULYHCVGOEXOD-UHFFFAOYSA-N
MW347.53 g/mol
LogP6.80
Rot. Bonds2

About 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline

1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 139256208) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline
PubChem CID139256208
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC Name1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)(C)c1ccc(N2CCCc3cc(-c4cccs4)ccc32)cc1
InChIInChI=1S/C23H25NS/c1-23(2,3)19-9-11-20(12-10-19)24-14-4-6-17-16-18(8-13-21(17)24)22-7-5-15-25-22/h5,7-13,15-16H,4,6,14H2,1-3H3
InChIKeyTUULYHCVGOEXOD-UHFFFAOYSA-N
XLogP6.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline (CID 139256208) is 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline is CC(C)(C)c1ccc(N2CCCc3cc(-c4cccs4)ccc32)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is TUULYHCVGOEXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS/c1-23(2,3)19-9-11-20(12-10-19)24-14-4-6-17-16-18(8-13-21(17)24)22-7-5-15-25-22/h5,7-13,15-16H,4,6,14H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline?
1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 347.53 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 139256208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).