4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide

C19H18N2O2 — CID 4915921

IUPAC4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-11-15(17-5-3-4-6-18(17)21-13)12-20-19(22)14-7-9-16(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyYHULZKWGONZRNU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds4

About 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide

4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide (PubChem CID 4915921) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
PubChem CID4915921
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-13-11-15(17-5-3-4-6-18(17)21-13)12-20-19(22)14-7-9-16(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyYHULZKWGONZRNU-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide (CID 4915921) is 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide?
The InChIKey is YHULZKWGONZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-11-15(17-5-3-4-6-18(17)21-13)12-20-19(22)14-7-9-16(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide?
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 4915921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).