6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide

C21H25FN4O — CID 46997833

IUPAC6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccc(F)cc12
InChIInChI=1S/C21H25FN4O/c1-13(2)11-25(5)21(27)18-9-20(15-10-23-26(12-15)14(3)4)24-19-7-6-16(22)8-17(18)19/h6-10,12-14H,11H2,1-5H3
InChIKeyBKWVJENKZFIDAE-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.55
Rot. Bonds5

About 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide

6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46997833) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46997833
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccc(F)cc12
InChIInChI=1S/C21H25FN4O/c1-13(2)11-25(5)21(27)18-9-20(15-10-23-26(12-15)14(3)4)24-19-7-6-16(22)8-17(18)19/h6-10,12-14H,11H2,1-5H3
InChIKeyBKWVJENKZFIDAE-UHFFFAOYSA-N
XLogP4.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide (CID 46997833) is 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide is CC(C)CN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is BKWVJENKZFIDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13(2)11-25(5)21(27)18-9-20(15-10-23-26(12-15)14(3)4)24-19-7-6-16(22)8-17(18)19/h6-10,12-14H,11H2,1-5H3.
What are the key properties of 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46997833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).