N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H18N4OS — CID 4184826

IUPACN-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H18N4OS/c25-20(22-8-4-10-24-11-9-21-14-24)16-13-18(19-7-3-12-26-19)23-17-6-2-1-5-15(16)17/h1-3,5-7,9,11-14H,4,8,10H2,(H,22,25)
InChIKeyVIXZOJNCKBQMAW-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.98
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4184826) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4184826
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H18N4OS/c25-20(22-8-4-10-24-11-9-21-14-24)16-13-18(19-7-3-12-26-19)23-17-6-2-1-5-15(16)17/h1-3,5-7,9,11-14H,4,8,10H2,(H,22,25)
InChIKeyVIXZOJNCKBQMAW-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

HI-Topk-032
CID 1936439
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-cyanopyridin-4-yl)thiophene-2-carboxamide
CID 25190540
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-cyanopyridin-3-yl)thiophene-2-carboxamide
CID 25190542
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(5-cyanopyridin-3-yl)thiophene-2-carboxamide
CID 25190544
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 4184826) is N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is VIXZOJNCKBQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-20(22-8-4-10-24-11-9-21-14-24)16-13-18(19-7-3-12-26-19)23-17-6-2-1-5-15(16)17/h1-3,5-7,9,11-14H,4,8,10H2,(H,22,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4184826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).