7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide

C24H19FN4O2 — CID 71565738

IUPAC7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)C4CC4)cn3)cc2n1
InChIInChI=1S/C24H19FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16H,2-3,12H2,(H2,26,31)
InChIKeyLTQDWLBJRNEBCU-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.98
Rot. Bonds6

About 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide

7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide (PubChem CID 71565738) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
PubChem CID71565738
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)C4CC4)cn3)cc2n1
InChIInChI=1S/C24H19FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16H,2-3,12H2,(H2,26,31)
InChIKeyLTQDWLBJRNEBCU-UHFFFAOYSA-N
XLogP3.98
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide (CID 71565738) is 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(C(=O)C4CC4)cn3)cc2n1.
What is the InChIKey of 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
The InChIKey is LTQDWLBJRNEBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16H,2-3,12H2,(H2,26,31).
What are the key properties of 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(cyclopropanecarbonyl)pyrazol-1-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71565738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).