N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C25H21N3O2S — CID 55532752

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C25H21N3O2S/c29-24(26-18-11-9-17(10-12-18)25(30)28-13-3-4-14-28)20-16-22(23-8-5-15-31-23)27-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,26,29)
InChIKeyCRINCMLVCZFFPT-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.45
Rot. Bonds4

About N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 55532752) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID55532752
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C25H21N3O2S/c29-24(26-18-11-9-17(10-12-18)25(30)28-13-3-4-14-28)20-16-22(23-8-5-15-31-23)27-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,26,29)
InChIKeyCRINCMLVCZFFPT-UHFFFAOYSA-N
XLogP5.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
1-propan-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24657561
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2965579
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 55532752) is N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is CRINCMLVCZFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c29-24(26-18-11-9-17(10-12-18)25(30)28-13-3-4-14-28)20-16-22(23-8-5-15-31-23)27-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,26,29).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 55532752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).