7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide

C18H17FN4O3 — CID 96571082

IUPAC7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2noc([C@H]3CCCO3)n2)c2ccc(F)cc2n1
InChIInChI=1S/C18H17FN4O3/c1-10-7-13(12-5-4-11(19)8-14(12)21-10)17(24)20-9-16-22-18(26-23-16)15-3-2-6-25-15/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyGXPZCPSWFVAWEP-OAHLLOKOSA-N
MW356.36 g/mol
LogP2.85
Rot. Bonds4

About 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide (PubChem CID 96571082) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
PubChem CID96571082
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2noc([C@H]3CCCO3)n2)c2ccc(F)cc2n1
InChIInChI=1S/C18H17FN4O3/c1-10-7-13(12-5-4-11(19)8-14(12)21-10)17(24)20-9-16-22-18(26-23-16)15-3-2-6-25-15/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyGXPZCPSWFVAWEP-OAHLLOKOSA-N
XLogP2.85
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 70747971
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 118786622
3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
1-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 125178826
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide (CID 96571082) is 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCc2noc([C@H]3CCCO3)n2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide?
The InChIKey is GXPZCPSWFVAWEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-10-7-13(12-5-4-11(19)8-14(12)21-10)17(24)20-9-16-22-18(26-23-16)15-3-2-6-25-15/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 96571082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).