N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide

C19H13FN4O2 — CID 4278738

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)ccc2n1
InChIInChI=1S/C19H13FN4O2/c1-11-2-3-13-10-14(6-9-16(13)21-11)17(25)22-19-24-23-18(26-19)12-4-7-15(20)8-5-12/h2-10H,1H3,(H,22,24,25)
InChIKeySTTQWTGQFDHSAG-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.98
Rot. Bonds3

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide (PubChem CID 4278738) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide
PubChem CID4278738
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)ccc2n1
InChIInChI=1S/C19H13FN4O2/c1-11-2-3-13-10-14(6-9-16(13)21-11)17(25)22-19-24-23-18(26-19)12-4-7-15(20)8-5-12/h2-10H,1H3,(H,22,24,25)
InChIKeySTTQWTGQFDHSAG-UHFFFAOYSA-N
XLogP3.98
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 43977817
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7295054
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide (CID 4278738) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide is Cc1ccc2cc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)ccc2n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide?
The InChIKey is STTQWTGQFDHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c1-11-2-3-13-10-14(6-9-16(13)21-11)17(25)22-19-24-23-18(26-19)12-4-7-15(20)8-5-12/h2-10H,1H3,(H,22,24,25).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 4278738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).