N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide

C21H18N4O — CID 41412655

IUPACN-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H18N4O/c26-21(20-11-8-17-4-1-2-5-19(17)24-20)22-14-12-16-6-9-18(10-7-16)25-15-3-13-23-25/h1-11,13,15H,12,14H2,(H,22,26)
InChIKeyORCVGIAWCBCKCC-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide

N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide (PubChem CID 41412655) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
PubChem CID41412655
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H18N4O/c26-21(20-11-8-17-4-1-2-5-19(17)24-20)22-14-12-16-6-9-18(10-7-16)25-15-3-13-23-25/h1-11,13,15H,12,14H2,(H,22,26)
InChIKeyORCVGIAWCBCKCC-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 43045643
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide (CID 41412655) is N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide?
The InChIKey is ORCVGIAWCBCKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(20-11-8-17-4-1-2-5-19(17)24-20)22-14-12-16-6-9-18(10-7-16)25-15-3-13-23-25/h1-11,13,15H,12,14H2,(H,22,26).
What are the key properties of N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide?
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 41412655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).