2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C21H16N2OS — CID 4298041

IUPAC2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16N2OS/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-13H,14H2,(H,22,24)
InChIKeyPAULFNZXLLENNY-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.89
Rot. Bonds4

About 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 4298041) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID4298041
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16N2OS/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-13H,14H2,(H,22,24)
InChIKeyPAULFNZXLLENNY-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
6,11-Dihydro-5-thia-11-aza-benzo[alpha]fluorene-6-carboxylic acid diethylamide
CID 57852692
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
(S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16064397
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
(S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16065390
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391
3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53325403

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 4298041) is 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is PAULFNZXLLENNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-13H,14H2,(H,22,24).
What are the key properties of 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4298041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).