2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile

C19H17N3O3 — CID 118955715

IUPAC2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2c1
InChIInChI=1S/C19H17N3O3/c1-24-16-5-6-17-13(8-16)7-14(19(23)22-17)11-21-15-4-3-12(10-20)18(9-15)25-2/h3-9,21H,11H2,1-2H3,(H,22,23)
InChIKeyGSWUVXVESIYSLI-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.03
Rot. Bonds5

About 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile

2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile (PubChem CID 118955715) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
PubChem CID118955715
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2c1
InChIInChI=1S/C19H17N3O3/c1-24-16-5-6-17-13(8-16)7-14(19(23)22-17)11-21-15-4-3-12(10-20)18(9-15)25-2/h3-9,21H,11H2,1-2H3,(H,22,23)
InChIKeyGSWUVXVESIYSLI-UHFFFAOYSA-N
XLogP3.03
TPSA87.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
N-(2-Hydroxy-6-methoxy-quinolin-3-ylmethyl)-N-p-tolyl-propionamide
CID 1091906
N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 663963
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
3-[(3,4-Dimethyl-phenylamino)-methyl]-6-methoxy-quinolin-2-ol
CID 939029
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
2-(6,7-dimethoxy-2-oxo-3-((phenylamino)methyl)quinolin-1(2H)-yl)-N-(4-ethylphenyl)acetamide
CID 16023223
4-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955554
2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955570

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
The IUPAC name of 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile (CID 118955715) is 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile is COc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2c1.
What is the InChIKey of 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
The InChIKey is GSWUVXVESIYSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-16-5-6-17-13(8-16)7-14(19(23)22-17)11-21-15-4-3-12(10-20)18(9-15)25-2/h3-9,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile has a molecular weight of 335.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile is sourced from PubChem (CID 118955715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).