N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H17ClN2OS — CID 106901259

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc2C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-10(14-6-7-15(17)21-14)19-16(20)12-8-11-4-2-3-5-13(11)18-9-12/h2-7,10,12,18H,8-9H2,1H3,(H,19,20)
InChIKeyLOWFUYMAGIUAES-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901259) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901259
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc2C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-10(14-6-7-15(17)21-14)19-16(20)12-8-11-4-2-3-5-13(11)18-9-12/h2-7,10,12,18H,8-9H2,1H3,(H,19,20)
InChIKeyLOWFUYMAGIUAES-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901259) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is CC(NC(=O)C1CNc2ccccc2C1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is LOWFUYMAGIUAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10(14-6-7-15(17)21-14)19-16(20)12-8-11-4-2-3-5-13(11)18-9-12/h2-7,10,12,18H,8-9H2,1H3,(H,19,20).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).