N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride

C20H23Cl2N3OS — CID 119459873

IUPACN-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3OS.2ClH/c24-20(22-13-14-5-3-9-21-12-14)16-11-18(19-8-4-10-25-19)23-17-7-2-1-6-15(16)17;;/h1-2,4,6-8,10-11,14,21H,3,5,9,12-13H2,(H,22,24);2*1H
InChIKeyCYPWWQQKGOFUPT-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.54
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride

N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119459873) has the molecular formula C20H23Cl2N3OS and a molecular weight of 424.40 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID119459873
Molecular FormulaC20H23Cl2N3OS
Molecular Weight424.40 g/mol
Exact Mass423.09
IUPAC NameN-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3OS.2ClH/c24-20(22-13-14-5-3-9-21-12-14)16-11-18(19-8-4-10-25-19)23-17-7-2-1-6-15(16)17;;/h1-2,4,6-8,10-11,14,21H,3,5,9,12-13H2,(H,22,24);2*1H
InChIKeyCYPWWQQKGOFUPT-UHFFFAOYSA-N
XLogP4.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166203947
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 120887710
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
CID 12799874
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
1-(oxolan-2-ylmethyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea
CID 17375034

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride (CID 119459873) is N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCNC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is CYPWWQQKGOFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS.2ClH/c24-20(22-13-14-5-3-9-21-12-14)16-11-18(19-8-4-10-25-19)23-17-7-2-1-6-15(16)17;;/h1-2,4,6-8,10-11,14,21H,3,5,9,12-13H2,(H,22,24);2*1H.
What are the key properties of N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 424.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119459873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).