6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide

C20H23FN4O — CID 46975769

IUPAC6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NC(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H23FN4O/c1-11(8-17-13(3)24-25(5)14(17)4)22-20(26)18-10-15-9-16(21)6-7-19(15)23-12(18)2/h6-7,9-11H,8H2,1-5H3,(H,22,26)
InChIKeyGBWWVXVUQUUZMF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.39
Rot. Bonds4

About 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide

6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide (PubChem CID 46975769) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
PubChem CID46975769
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)NC(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H23FN4O/c1-11(8-17-13(3)24-25(5)14(17)4)22-20(26)18-10-15-9-16(21)6-7-19(15)23-12(18)2/h6-7,9-11H,8H2,1-5H3,(H,22,26)
InChIKeyGBWWVXVUQUUZMF-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
7-(4-fluorophenyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 92626549
2-(1-methylpyrazol-3-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626923
2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92627008
2-(2-methylpyrazol-3-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 46977200
N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026295
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585
3-methyl-5-nitro-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzamide
CID 122142531
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide (CID 46975769) is 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide is Cc1nc2ccc(F)cc2cc1C(=O)NC(C)Cc1c(C)nn(C)c1C.
What is the InChIKey of 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide?
The InChIKey is GBWWVXVUQUUZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-11(8-17-13(3)24-25(5)14(17)4)22-20(26)18-10-15-9-16(21)6-7-19(15)23-12(18)2/h6-7,9-11H,8H2,1-5H3,(H,22,26).
What are the key properties of 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide?
6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 46975769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).