7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide

C16H16N4O2 — CID 155550171

IUPAC7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccnn3C)cnc2c1
InChIInChI=1S/C16H16N4O2/c1-20-13(5-6-19-20)10-18-16(21)12-7-11-3-4-14(22-2)8-15(11)17-9-12/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyDATGAGIBCBWIBU-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.91
Rot. Bonds4

About 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide

7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide (PubChem CID 155550171) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
PubChem CID155550171
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccnn3C)cnc2c1
InChIInChI=1S/C16H16N4O2/c1-20-13(5-6-19-20)10-18-16(21)12-7-11-3-4-14(22-2)8-15(11)17-9-12/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyDATGAGIBCBWIBU-UHFFFAOYSA-N
XLogP1.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]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-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide (CID 155550171) is 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccnn3C)cnc2c1.
What is the InChIKey of 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
The InChIKey is DATGAGIBCBWIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-13(5-6-19-20)10-18-16(21)12-7-11-3-4-14(22-2)8-15(11)17-9-12/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 155550171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).