7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide

C16H16N4O2 — CID 155553534

IUPAC7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccn(C)n3)cnc2c1
InChIInChI=1S/C16H16N4O2/c1-20-6-5-13(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)
InChIKeyHDJOAVSYPWMNHJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.91
Rot. Bonds4

About 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide

7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide (PubChem CID 155553534) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
PubChem CID155553534
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccn(C)n3)cnc2c1
InChIInChI=1S/C16H16N4O2/c1-20-6-5-13(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)
InChIKeyHDJOAVSYPWMNHJ-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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide (CID 155553534) is 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccn(C)n3)cnc2c1.
What is the InChIKey of 7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
The InChIKey is HDJOAVSYPWMNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-6-5-13(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-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide?
7-methoxy-N-[(1-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-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 155553534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).