1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine

C17H17ClN2S — CID 116785261

IUPAC1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C17H17ClN2S/c1-2-4-14(19)16-9-8-15(21-16)12-6-7-13(18)11-5-3-10-20-17(11)12/h3,5-10,14H,2,4,19H2,1H3
InChIKeyBSABJHFHNQWKLX-UHFFFAOYSA-N
MW316.86 g/mol
LogP5.42
Rot. Bonds4

About 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine

1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine (PubChem CID 116785261) has the molecular formula C17H17ClN2S and a molecular weight of 316.86 g/mol. Its IUPAC name is 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
PubChem CID116785261
Molecular FormulaC17H17ClN2S
Molecular Weight316.86 g/mol
Exact Mass316.08
IUPAC Name1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C17H17ClN2S/c1-2-4-14(19)16-9-8-15(21-16)12-6-7-13(18)11-5-3-10-20-17(11)12/h3,5-10,14H,2,4,19H2,1H3
InChIKeyBSABJHFHNQWKLX-UHFFFAOYSA-N
XLogP5.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.86
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
CID 116785248
1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
CID 70832725
1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43154404
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 81274603
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43154475
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
3-butyl-5-(5-chloroquinolin-8-yl)imidazol-4-amine
CID 115960233
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine (CID 116785261) is 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2ccc(Cl)c3cccnc23)s1.
What is the InChIKey of 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine?
The InChIKey is BSABJHFHNQWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S/c1-2-4-14(19)16-9-8-15(21-16)12-6-7-13(18)11-5-3-10-20-17(11)12/h3,5-10,14H,2,4,19H2,1H3.
What are the key properties of 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine?
1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine has a molecular weight of 316.86 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 116785261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).