methyl 2-[(2-methylquinolin-4-yl)amino]propanoate

C14H16N2O2 — CID 43525443

IUPACmethyl 2-[(2-methylquinolin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-9-8-13(16-10(2)14(17)18-3)11-6-4-5-7-12(11)15-9/h4-8,10H,1-3H3,(H,15,16)
InChIKeyGTURFTZFBAMEOJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-[(2-methylquinolin-4-yl)amino]propanoate

methyl 2-[(2-methylquinolin-4-yl)amino]propanoate (PubChem CID 43525443) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[(2-methylquinolin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylquinolin-4-yl)amino]propanoate
PubChem CID43525443
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[(2-methylquinolin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-9-8-13(16-10(2)14(17)18-3)11-6-4-5-7-12(11)15-9/h4-8,10H,1-3H3,(H,15,16)
InChIKeyGTURFTZFBAMEOJ-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
CID 55107861
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylquinolin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(2-methylquinolin-4-yl)amino]propanoate (CID 43525443) is methyl 2-[(2-methylquinolin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-methylquinolin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-methylquinolin-4-yl)amino]propanoate is COC(=O)C(C)Nc1cc(C)nc2ccccc12.
What is the InChIKey of methyl 2-[(2-methylquinolin-4-yl)amino]propanoate?
The InChIKey is GTURFTZFBAMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-8-13(16-10(2)14(17)18-3)11-6-4-5-7-12(11)15-9/h4-8,10H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(2-methylquinolin-4-yl)amino]propanoate?
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate has a molecular weight of 244.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylquinolin-4-yl)amino]propanoate is sourced from PubChem (CID 43525443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).