4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile

C19H16FN3O3 — CID 118955564

IUPAC4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
SMILESCOc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2cc1F
InChIInChI=1S/C19H16FN3O3/c1-25-17-7-14(4-3-11(17)9-21)22-10-13-5-12-6-15(20)18(26-2)8-16(12)23-19(13)24/h3-8,22H,10H2,1-2H3,(H,23,24)
InChIKeyGPCTVBQLFMBFGO-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.17
Rot. Bonds5

About 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile

4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile (PubChem CID 118955564) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
PubChem CID118955564
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
SMILESCOc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2cc1F
InChIInChI=1S/C19H16FN3O3/c1-25-17-7-14(4-3-11(17)9-21)22-10-13-5-12-6-15(20)18(26-2)8-16(12)23-19(13)24/h3-8,22H,10H2,1-2H3,(H,23,24)
InChIKeyGPCTVBQLFMBFGO-UHFFFAOYSA-N
XLogP3.17
TPSA87.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile with MolForge

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Related Compounds

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
2-[3-(Anilinomethyl)-7-methoxy-2-oxo-1(2H)-quinolinyl]-N-(2,4-dimethylphenyl)acetamide
CID 16023225
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
4-[(6-bromo-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955582
(S)-4-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-2-methoxy benzonitrile
CID 118955607
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
CID 118955611
2-methoxy-4-[[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]methylamino]benzonitrile
CID 118955613
4-[(6-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955667
2-methoxy-4-[(2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955691
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2,6-dimethoxybenzonitrile
CID 118955698
2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955715

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The IUPAC name of 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile (CID 118955564) is 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile is COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2cc1F.
What is the InChIKey of 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
The InChIKey is GPCTVBQLFMBFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-25-17-7-14(4-3-11(17)9-21)22-10-13-5-12-6-15(20)18(26-2)8-16(12)23-19(13)24/h3-8,22H,10H2,1-2H3,(H,23,24).
What are the key properties of 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile?
4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile has a molecular weight of 353.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile is sourced from PubChem (CID 118955564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).