6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide

C22H13ClN4O3 — CID 67206397

IUPAC6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H13ClN4O3/c23-14-8-9-17-15(11-14)16(12-18(24-17)13-5-2-1-3-6-13)20(28)25-22-27-26-21(30-22)19-7-4-10-29-19/h1-12H,(H,25,27,28)
InChIKeyGMIGNWBMEJMRDV-UHFFFAOYSA-N
MW416.82 g/mol
LogP5.45
Rot. Bonds4

About 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide

6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 67206397) has the molecular formula C22H13ClN4O3 and a molecular weight of 416.82 g/mol. Its IUPAC name is 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
PubChem CID67206397
Molecular FormulaC22H13ClN4O3
Molecular Weight416.82 g/mol
Exact Mass416.07
IUPAC Name6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H13ClN4O3/c23-14-8-9-17-15(11-14)16(12-18(24-17)13-5-2-1-3-6-13)20(28)25-22-27-26-21(30-22)19-7-4-10-29-19/h1-12H,(H,25,27,28)
InChIKeyGMIGNWBMEJMRDV-UHFFFAOYSA-N
XLogP5.45
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.82
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide (CID 67206397) is 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is GMIGNWBMEJMRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN4O3/c23-14-8-9-17-15(11-14)16(12-18(24-17)13-5-2-1-3-6-13)20(28)25-22-27-26-21(30-22)19-7-4-10-29-19/h1-12H,(H,25,27,28).
What are the key properties of 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 416.82 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 67206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).