1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine

C21H24N2O2 — CID 70779266

IUPAC1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)C)cc12
InChIInChI=1S/C21H24N2O2/c1-14-7-6-8-15(11-14)20-16(13-23(2)3)12-17-18(24-4)9-10-19(25-5)21(17)22-20/h6-12H,13H2,1-5H3
InChIKeyZQLFMBLEKNQNRX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.29
Rot. Bonds5

About 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine

1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine (PubChem CID 70779266) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine
PubChem CID70779266
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)C)cc12
InChIInChI=1S/C21H24N2O2/c1-14-7-6-8-15(11-14)20-16(13-23(2)3)12-17-18(24-4)9-10-19(25-5)21(17)22-20/h6-12H,13H2,1-5H3
InChIKeyZQLFMBLEKNQNRX-UHFFFAOYSA-N
XLogP4.29
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5,8-dimethoxy-2-(4-methylphenyl)quinolin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-thiophen-3-ylacetamide
CID 118758234
2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]acetamide
CID 42435423
1-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39145993
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
6-[(4-fluorophenyl)methyl]-3-methoxy-2-(3-methylphenyl)pyridine
CID 90305031
8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
CID 46302811
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 56661925
methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 67232095
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413

Frequently Asked Questions

What is the IUPAC name of 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine (CID 70779266) is 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine is COc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)C)cc12.
What is the InChIKey of 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ZQLFMBLEKNQNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-7-6-8-15(11-14)20-16(13-23(2)3)12-17-18(24-4)9-10-19(25-5)21(17)22-20/h6-12H,13H2,1-5H3.
What are the key properties of 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine?
1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 336.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70779266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).