4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile

C18H15N3O — CID 78885590

IUPAC4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
SMILESCOc1ccc(CNc2c(C#N)cnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-22-15-8-6-13(7-9-15)11-21-18-14(10-19)12-20-17-5-3-2-4-16(17)18/h2-9,12H,11H2,1H3,(H,20,21)
InChIKeyKLLCAABPPKPILJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.73
Rot. Bonds4

About 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile

4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile (PubChem CID 78885590) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
PubChem CID78885590
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
SMILESCOc1ccc(CNc2c(C#N)cnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-22-15-8-6-13(7-9-15)11-21-18-14(10-19)12-20-17-5-3-2-4-16(17)18/h2-9,12H,11H2,1H3,(H,20,21)
InChIKeyKLLCAABPPKPILJ-UHFFFAOYSA-N
XLogP3.73
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133310634
6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
CID 71779770
methyl N-[4-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 133317533
4-[[4-(methylsulfonylmethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133319712
4-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 133319468
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carbonitrile
CID 50768558
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942
4-[(4-ethylphenyl)methylamino]-8-methoxyquinoline-3-carbonitrile
CID 167702626
4-[(3-methylthiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 79033709

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile (CID 78885590) is 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile is COc1ccc(CNc2c(C#N)cnc3ccccc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is KLLCAABPPKPILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-22-15-8-6-13(7-9-15)11-21-18-14(10-19)12-20-17-5-3-2-4-16(17)18/h2-9,12H,11H2,1H3,(H,20,21).
What are the key properties of 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile?
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 78885590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).