4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile

C19H17N3O — CID 133310634

IUPAC4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
SMILESCOCc1ccc(CNc2c(C#N)cnc3ccccc23)cc1
InChIInChI=1S/C19H17N3O/c1-23-13-15-8-6-14(7-9-15)11-22-19-16(10-20)12-21-18-5-3-2-4-17(18)19/h2-9,12H,11,13H2,1H3,(H,21,22)
InChIKeyIPLYTWFDIHTEPV-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.86
Rot. Bonds5

About 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile

4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile (PubChem CID 133310634) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
PubChem CID133310634
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
SMILESCOCc1ccc(CNc2c(C#N)cnc3ccccc23)cc1
InChIInChI=1S/C19H17N3O/c1-23-13-15-8-6-14(7-9-15)11-22-19-16(10-20)12-21-18-5-3-2-4-17(18)19/h2-9,12H,11,13H2,1H3,(H,21,22)
InChIKeyIPLYTWFDIHTEPV-UHFFFAOYSA-N
XLogP3.86
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
methyl N-[4-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 133317533
4-[[4-(methylsulfonylmethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133319712
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
4-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 133319468
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
CID 55258412
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942
4-[(3-methylthiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 79033709
4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 64531887
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile (CID 133310634) is 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile is COCc1ccc(CNc2c(C#N)cnc3ccccc23)cc1.
What is the InChIKey of 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile?
The InChIKey is IPLYTWFDIHTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-13-15-8-6-14(7-9-15)11-22-19-16(10-20)12-21-18-5-3-2-4-17(18)19/h2-9,12H,11,13H2,1H3,(H,21,22).
What are the key properties of 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile?
4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133310634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).