3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide

C18H16N2O3 — CID 171350090

IUPAC3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
SMILESCNC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-19-18(21)12-9-13(22-2)11-14(10-12)23-17-7-8-20-16-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,19,21)
InChIKeyHPEDLJVLXDQLQO-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.40
Rot. Bonds4

About 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide

3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide (PubChem CID 171350090) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
PubChem CID171350090
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
SMILESCNC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-19-18(21)12-9-13(22-2)11-14(10-12)23-17-7-8-20-16-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,19,21)
InChIKeyHPEDLJVLXDQLQO-UHFFFAOYSA-N
XLogP3.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
The IUPAC name of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide (CID 171350090) is 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide is CNC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
The InChIKey is HPEDLJVLXDQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-19-18(21)12-9-13(22-2)11-14(10-12)23-17-7-8-20-16-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,19,21).
What are the key properties of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide is sourced from PubChem (CID 171350090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).