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

C19H17N3O2 — CID 118955570

IUPAC2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
SMILESCOc1cc(NCc2cc3cc(C)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H17N3O2/c1-12-3-6-17-14(7-12)8-15(19(23)22-17)11-21-16-5-4-13(10-20)18(9-16)24-2/h3-9,21H,11H2,1-2H3,(H,22,23)
InChIKeyWELQRSQWBDNFGC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.33
Rot. Bonds4

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

2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile (PubChem CID 118955570) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
PubChem CID118955570
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
SMILESCOc1cc(NCc2cc3cc(C)ccc3[nH]c2=O)ccc1C#N
InChIInChI=1S/C19H17N3O2/c1-12-3-6-17-14(7-12)8-15(19(23)22-17)11-21-16-5-4-13(10-20)18(9-16)24-2/h3-9,21H,11H2,1-2H3,(H,22,23)
InChIKeyWELQRSQWBDNFGC-UHFFFAOYSA-N
XLogP3.33
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
The IUPAC name of 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile (CID 118955570) is 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile is COc1cc(NCc2cc3cc(C)ccc3[nH]c2=O)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
The InChIKey is WELQRSQWBDNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-3-6-17-14(7-12)8-15(19(23)22-17)11-21-16-5-4-13(10-20)18(9-16)24-2/h3-9,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile?
2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile is sourced from PubChem (CID 118955570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).