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

C28H19N5O2 — CID 156700866

IUPACN-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C28H19N5O2/c34-27(33-28-30-17-25(32-28)26-9-5-13-35-26)22-15-24(18-6-2-1-3-7-18)31-23-11-10-19(14-21(22)23)20-8-4-12-29-16-20/h1-17H,(H2,30,32,33,34)
InChIKeyYTNRRWNQITYLOF-UHFFFAOYSA-N
MW457.49 g/mol
LogP6.20
Rot. Bonds5

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

N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 156700866) has the molecular formula C28H19N5O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide
PubChem CID156700866
Molecular FormulaC28H19N5O2
Molecular Weight457.49 g/mol
Exact Mass457.15
IUPAC NameN-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C28H19N5O2/c34-27(33-28-30-17-25(32-28)26-9-5-13-35-26)22-15-24(18-6-2-1-3-7-18)31-23-11-10-19(14-21(22)23)20-8-4-12-29-16-20/h1-17H,(H2,30,32,33,34)
InChIKeyYTNRRWNQITYLOF-UHFFFAOYSA-N
XLogP6.20
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 156700857
2-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide
CID 175195077
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
CID 67204691
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide
CID 135472206
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 17371985
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 29369713
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
N-[5-(furan-2-yl)-2-methylphenyl]-2-hydroxy-5-pyridin-3-ylbenzamide
CID 70668755

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide (CID 156700866) is N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1ncc(-c2ccco2)[nH]1)c1cc(-c2ccccc2)nc2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is YTNRRWNQITYLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2/c34-27(33-28-30-17-25(32-28)26-9-5-13-35-26)22-15-24(18-6-2-1-3-7-18)31-23-11-10-19(14-21(22)23)20-8-4-12-29-16-20/h1-17H,(H2,30,32,33,34).
What are the key properties of N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 6.20, 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-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 156700866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).