N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride

C18H24ClN3OS — CID 134307048

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride
SMILESCN(C)C(CNC(=O)N1CCCc2ccccc21)c1ccsc1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-20(2)17(15-9-11-23-13-15)12-19-18(22)21-10-5-7-14-6-3-4-8-16(14)21;/h3-4,6,8-9,11,13,17H,5,7,10,12H2,1-2H3,(H,19,22);1H
InChIKeyBVKQRNRZLYXDLN-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride (PubChem CID 134307048) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride
PubChem CID134307048
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride
SMILESCN(C)C(CNC(=O)N1CCCc2ccccc21)c1ccsc1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-20(2)17(15-9-11-23-13-15)12-19-18(22)21-10-5-7-14-6-3-4-8-16(14)21;/h3-4,6,8-9,11,13,17H,5,7,10,12H2,1-2H3,(H,19,22);1H
InChIKeyBVKQRNRZLYXDLN-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride (CID 134307048) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride is CN(C)C(CNC(=O)N1CCCc2ccccc21)c1ccsc1.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride?
The InChIKey is BVKQRNRZLYXDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c1-20(2)17(15-9-11-23-13-15)12-19-18(22)21-10-5-7-14-6-3-4-8-16(14)21;/h3-4,6,8-9,11,13,17H,5,7,10,12H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-quinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 134307048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).