7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide

C14H12N4O2 — CID 155565549

IUPAC7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cn[nH]c3)cnc2c1
InChIInChI=1S/C14H12N4O2/c1-20-12-3-2-9-4-10(6-15-13(9)5-12)14(19)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyQLTMCJNFWFJVTK-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.22
Rot. Bonds3

About 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide

7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide (PubChem CID 155565549) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide
PubChem CID155565549
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cn[nH]c3)cnc2c1
InChIInChI=1S/C14H12N4O2/c1-20-12-3-2-9-4-10(6-15-13(9)5-12)14(19)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyQLTMCJNFWFJVTK-UHFFFAOYSA-N
XLogP2.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide (CID 155565549) is 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3cn[nH]c3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide?
The InChIKey is QLTMCJNFWFJVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-12-3-2-9-4-10(6-15-13(9)5-12)14(19)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide?
7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155565549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).