2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide

C24H23N5O — CID 71292372

IUPAC2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccn[nH]1)c1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C24H23N5O/c30-24(27-21-11-5-3-9-18(21)22-12-13-25-28-22)19-16-17-8-2-4-10-20(17)26-23(19)29-14-6-1-7-15-29/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,28)(H,27,30)
InChIKeyHZQCTZLSZYLTHH-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.87
Rot. Bonds4

About 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide

2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide (PubChem CID 71292372) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide
PubChem CID71292372
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccn[nH]1)c1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C24H23N5O/c30-24(27-21-11-5-3-9-18(21)22-12-13-25-28-22)19-16-17-8-2-4-10-20(17)26-23(19)29-14-6-1-7-15-29/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,28)(H,27,30)
InChIKeyHZQCTZLSZYLTHH-UHFFFAOYSA-N
XLogP4.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide (CID 71292372) is 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide is O=C(Nc1ccccc1-c1ccn[nH]1)c1cc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide?
The InChIKey is HZQCTZLSZYLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(27-21-11-5-3-9-18(21)22-12-13-25-28-22)19-16-17-8-2-4-10-20(17)26-23(19)29-14-6-1-7-15-29/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,28)(H,27,30).
What are the key properties of 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide?
2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[2-(1H-pyrazol-5-yl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 71292372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).