methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate

C26H25N3O2 — CID 112799764

IUPACmethyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN(C)CCc2ccccn2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H25N3O2/c1-29(17-15-20-12-8-9-16-27-20)18-23-25(26(30)31-2)24(19-10-4-3-5-11-19)21-13-6-7-14-22(21)28-23/h3-14,16H,15,17-18H2,1-2H3
InChIKeyQUYSNJBESSNYAX-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.76
Rot. Bonds7

About methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate

methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate (PubChem CID 112799764) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
PubChem CID112799764
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Namemethyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN(C)CCc2ccccn2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H25N3O2/c1-29(17-15-20-12-8-9-16-27-20)18-23-25(26(30)31-2)24(19-10-4-3-5-11-19)21-13-6-7-14-22(21)28-23/h3-14,16H,15,17-18H2,1-2H3
InChIKeyQUYSNJBESSNYAX-UHFFFAOYSA-N
XLogP4.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
CID 8910715
methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 46538622
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8694980
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
CID 122133317
methyl 2-[(4-cyanobenzoyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 18293252
methyl 4-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 27714338
3-[(3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610996
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate (CID 112799764) is methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(CN(C)CCc2ccccn2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is QUYSNJBESSNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-29(17-15-20-12-8-9-16-27-20)18-23-25(26(30)31-2)24(19-10-4-3-5-11-19)21-13-6-7-14-22(21)28-23/h3-14,16H,15,17-18H2,1-2H3.
What are the key properties of methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 411.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 112799764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).