N-benzyl-7-methoxyquinoline-3-carboxamide

C18H16N2O2 — CID 155552285

IUPACN-benzyl-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3)cnc2c1
InChIInChI=1S/C18H16N2O2/c1-22-16-8-7-14-9-15(12-19-17(14)10-16)18(21)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyWXELYZBXXZKPMD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.17
Rot. Bonds4

About N-benzyl-7-methoxyquinoline-3-carboxamide

N-benzyl-7-methoxyquinoline-3-carboxamide (PubChem CID 155552285) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-benzyl-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methoxyquinoline-3-carboxamide
PubChem CID155552285
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-benzyl-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3)cnc2c1
InChIInChI=1S/C18H16N2O2/c1-22-16-8-7-14-9-15(12-19-17(14)10-16)18(21)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyWXELYZBXXZKPMD-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-benzyl-7-methoxyquinoline-3-carboxamide (CID 155552285) is N-benzyl-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccccc3)cnc2c1.
What is the InChIKey of N-benzyl-7-methoxyquinoline-3-carboxamide?
The InChIKey is WXELYZBXXZKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-16-8-7-14-9-15(12-19-17(14)10-16)18(21)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of N-benzyl-7-methoxyquinoline-3-carboxamide?
N-benzyl-7-methoxyquinoline-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 155552285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).