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

C15H13FN4O2 — CID 131917230

IUPAC7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2nonc2C)c2ccc(F)cc2n1
InChIInChI=1S/C15H13FN4O2/c1-8-5-12(11-4-3-10(16)6-13(11)18-8)15(21)17-7-14-9(2)19-22-20-14/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeyQVXYJIBUNVCFPO-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.30
Rot. Bonds3

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

7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 131917230) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
PubChem CID131917230
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2nonc2C)c2ccc(F)cc2n1
InChIInChI=1S/C15H13FN4O2/c1-8-5-12(11-4-3-10(16)6-13(11)18-8)15(21)17-7-14-9(2)19-22-20-14/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeyQVXYJIBUNVCFPO-UHFFFAOYSA-N
XLogP2.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 39575257
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
7-fluoro-2-methyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]quinoline-4-carboxamide
CID 96571082
2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
CID 118773023
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 70747971
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide
CID 46473817
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide
CID 70709976
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686523

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide (CID 131917230) is 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCc2nonc2C)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is QVXYJIBUNVCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-8-5-12(11-4-3-10(16)6-13(11)18-8)15(21)17-7-14-9(2)19-22-20-14/h3-6H,7H2,1-2H3,(H,17,21).
What are the key properties of 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 131917230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).