N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide

C19H18N2O2 — CID 32602126

IUPACN-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H18N2O2/c1-23-13-16-8-3-2-7-15(16)12-20-19(22)18-11-10-14-6-4-5-9-17(14)21-18/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyNPYRJCCKSMZEAG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.31
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 32602126) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide
PubChem CID32602126
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H18N2O2/c1-23-13-16-8-3-2-7-15(16)12-20-19(22)18-11-10-14-6-4-5-9-17(14)21-18/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyNPYRJCCKSMZEAG-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide (CID 32602126) is N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide is COCc1ccccc1CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide?
The InChIKey is NPYRJCCKSMZEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-13-16-8-3-2-7-15(16)12-20-19(22)18-11-10-14-6-4-5-9-17(14)21-18/h2-11H,12-13H2,1H3,(H,20,22).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 32602126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).