7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride

C25H25ClN2O2 — CID 122180473

IUPAC7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride
SMILESCN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1.Cl
InChIInChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H
InChIKeyNMEDFURLWYWCMS-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.16
Rot. Bonds7

About 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride

7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride (PubChem CID 122180473) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride
PubChem CID122180473
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride
SMILESCN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1.Cl
InChIInChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H
InChIKeyNMEDFURLWYWCMS-UHFFFAOYSA-N
XLogP5.16
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride (CID 122180473) is 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride is CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1.Cl.
What is the InChIKey of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride?
The InChIKey is NMEDFURLWYWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H.
What are the key properties of 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride?
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 122180473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).