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

C21H25FN4O — CID 46995320

IUPAC7-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)nc2cc(F)ccc12
InChIInChI=1S/C21H25FN4O/c1-13(2)11-25(5)21(27)18-9-19(15-10-23-26(12-15)14(3)4)24-20-8-16(22)6-7-17(18)20/h6-10,12-14H,11H2,1-5H3
InChIKeyCAIZTBAVUFLTKO-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.55
Rot. Bonds5

About 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide

7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46995320) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46995320
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name7-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)nc2cc(F)ccc12
InChIInChI=1S/C21H25FN4O/c1-13(2)11-25(5)21(27)18-9-19(15-10-23-26(12-15)14(3)4)24-20-8-16(22)6-7-17(18)20/h6-10,12-14H,11H2,1-5H3
InChIKeyCAIZTBAVUFLTKO-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide (CID 46995320) is 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 7-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)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is CAIZTBAVUFLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13(2)11-25(5)21(27)18-9-19(15-10-23-26(12-15)14(3)4)24-20-8-16(22)6-7-17(18)20/h6-10,12-14H,11H2,1-5H3.
What are the key properties of 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
7-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 7-fluoro-N-methyl-N-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46995320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).