4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one

C16H14ClNOS — CID 103474546

IUPAC4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCn1ccc2cccc(Cl)c21)c1cccs1
InChIInChI=1S/C16H14ClNOS/c17-13-5-1-4-12-8-10-18(16(12)13)9-2-6-14(19)15-7-3-11-20-15/h1,3-5,7-8,10-11H,2,6,9H2
InChIKeyQYKWIMLRSTWSJD-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.02
Rot. Bonds5

About 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one

4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one (PubChem CID 103474546) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
PubChem CID103474546
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCn1ccc2cccc(Cl)c21)c1cccs1
InChIInChI=1S/C16H14ClNOS/c17-13-5-1-4-12-8-10-18(16(12)13)9-2-6-14(19)15-7-3-11-20-15/h1,3-5,7-8,10-11H,2,6,9H2
InChIKeyQYKWIMLRSTWSJD-UHFFFAOYSA-N
XLogP5.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one (CID 103474546) is 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one is O=C(CCCn1ccc2cccc(Cl)c21)c1cccs1.
What is the InChIKey of 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one?
The InChIKey is QYKWIMLRSTWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-13-5-1-4-12-8-10-18(16(12)13)9-2-6-14(19)15-7-3-11-20-15/h1,3-5,7-8,10-11H,2,6,9H2.
What are the key properties of 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one?
4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one has a molecular weight of 303.81 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 103474546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).