7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide

C20H16N4O2 — CID 155516371

IUPAC7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)cnc2c1
InChIInChI=1S/C20H16N4O2/c1-26-16-8-7-14-9-15(12-21-17(14)10-16)20(25)22-19-11-18(23-24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23,24,25)
InChIKeyPYVXXNFWFWNFKR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.89
Rot. Bonds4

About 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide

7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide (PubChem CID 155516371) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide
PubChem CID155516371
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)cnc2c1
InChIInChI=1S/C20H16N4O2/c1-26-16-8-7-14-9-15(12-21-17(14)10-16)20(25)22-19-11-18(23-24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23,24,25)
InChIKeyPYVXXNFWFWNFKR-UHFFFAOYSA-N
XLogP3.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-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 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide (CID 155516371) is 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide?
The InChIKey is PYVXXNFWFWNFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-16-8-7-14-9-15(12-21-17(14)10-16)20(25)22-19-11-18(23-24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23,24,25).
What are the key properties of 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide?
7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155516371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).