N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide

C27H18N4O2S — CID 156700839

IUPACN-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3ccsc3)cc12
InChIInChI=1S/C27H18N4O2S/c32-26(31-27-28-15-24(30-27)25-7-4-11-33-25)21-14-23(17-5-2-1-3-6-17)29-22-9-8-18(13-20(21)22)19-10-12-34-16-19/h1-16H,(H2,28,30,31,32)
InChIKeyACYVUGBJDHNIQY-UHFFFAOYSA-N
MW462.53 g/mol
LogP6.87
Rot. Bonds5

About N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide

N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide (PubChem CID 156700839) has the molecular formula C27H18N4O2S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide
PubChem CID156700839
Molecular FormulaC27H18N4O2S
Molecular Weight462.53 g/mol
Exact Mass462.12
IUPAC NameN-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3ccsc3)cc12
InChIInChI=1S/C27H18N4O2S/c32-26(31-27-28-15-24(30-27)25-7-4-11-33-25)21-14-23(17-5-2-1-3-6-17)29-22-9-8-18(13-20(21)22)19-10-12-34-16-19/h1-16H,(H2,28,30,31,32)
InChIKeyACYVUGBJDHNIQY-UHFFFAOYSA-N
XLogP6.87
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide (CID 156700839) is N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide is O=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3ccsc3)cc12.
What is the InChIKey of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide?
The InChIKey is ACYVUGBJDHNIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2S/c32-26(31-27-28-15-24(30-27)25-7-4-11-33-25)21-14-23(17-5-2-1-3-6-17)29-22-9-8-18(13-20(21)22)19-10-12-34-16-19/h1-16H,(H2,28,30,31,32).
What are the key properties of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 6.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 156700839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).