6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile

C13H13N3O — CID 62872646

IUPAC6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile
SMILESCNc1c(C#N)cnc2c(C)cc(OC)cc12
InChIInChI=1S/C13H13N3O/c1-8-4-10(17-3)5-11-12(8)16-7-9(6-14)13(11)15-2/h4-5,7H,1-3H3,(H,15,16)
InChIKeyUDIUMMPGZCVQJR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.47
Rot. Bonds2

About 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile

6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile (PubChem CID 62872646) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile
PubChem CID62872646
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile
SMILESCNc1c(C#N)cnc2c(C)cc(OC)cc12
InChIInChI=1S/C13H13N3O/c1-8-4-10(17-3)5-11-12(8)16-7-9(6-14)13(11)15-2/h4-5,7H,1-3H3,(H,15,16)
InChIKeyUDIUMMPGZCVQJR-UHFFFAOYSA-N
XLogP2.47
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methoxy-3,8-dimethylquinoline
CID 171373217
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile
CID 166235549
4-[(3-hydroxy-4-methoxybutyl)amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133393174
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6,8-dimethyl-4-(2-methylsulfonylethylamino)quinoline-3-carbonitrile
CID 71870914
6,8-dimethyl-4-(4-methylsulfanylbutylamino)quinoline-3-carbonitrile
CID 166216006
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
4-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]-6,8-dimethoxyquinoline-3-carbonitrile
CID 139017562
5-chloro-8-methoxy-4-(methylamino)quinoline-3-carbonitrile
CID 62188675
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile (CID 62872646) is 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile is CNc1c(C#N)cnc2c(C)cc(OC)cc12.
What is the InChIKey of 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile?
The InChIKey is UDIUMMPGZCVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-4-10(17-3)5-11-12(8)16-7-9(6-14)13(11)15-2/h4-5,7H,1-3H3,(H,15,16).
What are the key properties of 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile?
6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62872646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).