N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H16N3OS+ — CID 4164269

IUPACN-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1cccc[nH+]1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H15N3OS/c24-20(22-13-14-6-3-4-10-21-14)16-12-18(19-9-5-11-25-19)23-17-8-2-1-7-15(16)17/h1-12H,13H2,(H,22,24)/p+1
InChIKeyOAGRGRVCUAYVJO-UHFFFAOYSA-O
MW346.44 g/mol
LogP3.71
Rot. Bonds4

About N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4164269) has the molecular formula C20H16N3OS+ and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4164269
Molecular FormulaC20H16N3OS+
Molecular Weight346.44 g/mol
Exact Mass346.10
IUPAC NameN-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1cccc[nH+]1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H15N3OS/c24-20(22-13-14-6-3-4-10-21-14)16-12-18(19-9-5-11-25-19)23-17-8-2-1-7-15(16)17/h1-12H,13H2,(H,22,24)/p+1
InChIKeyOAGRGRVCUAYVJO-UHFFFAOYSA-O
XLogP3.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9080200
N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3439014
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 4164269) is N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCc1cccc[nH+]1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is OAGRGRVCUAYVJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H15N3OS/c24-20(22-13-14-6-3-4-10-21-14)16-12-18(19-9-5-11-25-19)23-17-8-2-1-7-15(16)17/h1-12H,13H2,(H,22,24)/p+1.
What are the key properties of N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4164269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).