N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride

C22H27Cl2N3O2S — CID 120887710

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)CCNCC1.Cl.Cl
InChIInChI=1S/C22H25N3O2S.2ClH/c1-27-15-22(8-10-23-11-9-22)14-24-21(26)17-13-19(20-7-4-12-28-20)25-18-6-3-2-5-16(17)18;;/h2-7,12-13,23H,8-11,14-15H2,1H3,(H,24,26);2*1H
InChIKeyFTGSICOSFZJIHM-UHFFFAOYSA-N
MW468.45 g/mol
LogP4.55
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride (PubChem CID 120887710) has the molecular formula C22H27Cl2N3O2S and a molecular weight of 468.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
PubChem CID120887710
Molecular FormulaC22H27Cl2N3O2S
Molecular Weight468.45 g/mol
Exact Mass467.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)CCNCC1.Cl.Cl
InChIInChI=1S/C22H25N3O2S.2ClH/c1-27-15-22(8-10-23-11-9-22)14-24-21(26)17-13-19(20-7-4-12-28-20)25-18-6-3-2-5-16(17)18;;/h2-7,12-13,23H,8-11,14-15H2,1H3,(H,24,26);2*1H
InChIKeyFTGSICOSFZJIHM-UHFFFAOYSA-N
XLogP4.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120887840
3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
CID 120891725
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
[2-(3-methoxypropylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 8661698
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride (CID 120887710) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cc(-c3cccs3)nc3ccccc23)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is FTGSICOSFZJIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S.2ClH/c1-27-15-22(8-10-23-11-9-22)14-24-21(26)17-13-19(20-7-4-12-28-20)25-18-6-3-2-5-16(17)18;;/h2-7,12-13,23H,8-11,14-15H2,1H3,(H,24,26);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 468.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120887710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).