N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide

C19H18N2O2 — CID 67199183

IUPACN-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1CO
InChIInChI=1S/C19H18N2O2/c1-12-6-5-7-14-10-15(11-22)19(21-18(12)14)16-8-3-4-9-17(16)20-13(2)23/h3-10,22H,11H2,1-2H3,(H,20,23)
InChIKeyIJPAANXQYMEFPG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.66
Rot. Bonds3

About N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide

N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide (PubChem CID 67199183) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide
PubChem CID67199183
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1CO
InChIInChI=1S/C19H18N2O2/c1-12-6-5-7-14-10-15(11-22)19(21-18(12)14)16-8-3-4-9-17(16)20-13(2)23/h3-10,22H,11H2,1-2H3,(H,20,23)
InChIKeyIJPAANXQYMEFPG-UHFFFAOYSA-N
XLogP3.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide (CID 67199183) is N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1CO.
What is the InChIKey of N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
The InChIKey is IJPAANXQYMEFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-6-5-7-14-10-15(11-22)19(21-18(12)14)16-8-3-4-9-17(16)20-13(2)23/h3-10,22H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 67199183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).