methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate

C21H22N2O2 — CID 110432509

IUPACmethyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1NC(C)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-14(16-9-5-4-6-10-16)23-21-17-11-7-8-12-19(17)22-15(2)18(21)13-20(24)25-3/h4-12,14H,13H2,1-3H3,(H,22,23)
InChIKeyLVNRYEFZLYOAGJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.43
Rot. Bonds5

About methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate

methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate (PubChem CID 110432509) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
PubChem CID110432509
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1NC(C)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-14(16-9-5-4-6-10-16)23-21-17-11-7-8-12-19(17)22-15(2)18(21)13-20(24)25-3/h4-12,14H,13H2,1-3H3,(H,22,23)
InChIKeyLVNRYEFZLYOAGJ-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673
3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 59106006

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate (CID 110432509) is methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1NC(C)c1ccccc1.
What is the InChIKey of methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate?
The InChIKey is LVNRYEFZLYOAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(16-9-5-4-6-10-16)23-21-17-11-7-8-12-19(17)22-15(2)18(21)13-20(24)25-3/h4-12,14H,13H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate?
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate has a molecular weight of 334.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate is sourced from PubChem (CID 110432509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).