methyl 2-[(3-methylquinolin-2-yl)amino]propanoate

C14H16N2O2 — CID 63229182

IUPACmethyl 2-[(3-methylquinolin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc2ccccc2cc1C
InChIInChI=1S/C14H16N2O2/c1-9-8-11-6-4-5-7-12(11)16-13(9)15-10(2)14(17)18-3/h4-8,10H,1-3H3,(H,15,16)
InChIKeyZQINFRBCMLCWKR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-[(3-methylquinolin-2-yl)amino]propanoate

methyl 2-[(3-methylquinolin-2-yl)amino]propanoate (PubChem CID 63229182) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[(3-methylquinolin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methylquinolin-2-yl)amino]propanoate
PubChem CID63229182
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[(3-methylquinolin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc2ccccc2cc1C
InChIInChI=1S/C14H16N2O2/c1-9-8-11-6-4-5-7-12(11)16-13(9)15-10(2)14(17)18-3/h4-8,10H,1-3H3,(H,15,16)
InChIKeyZQINFRBCMLCWKR-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-[(3-methylquinolin-2-yl)amino]propanamide
CID 63229343
(3-methylquinolin-2-yl)urea
CID 141055729
N-(1-methoxypropan-2-yl)-3-methylquinolin-2-amine
CID 63229340
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
CID 55173421
2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
CID 63228896
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
CID 63229227
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylquinolin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(3-methylquinolin-2-yl)amino]propanoate (CID 63229182) is methyl 2-[(3-methylquinolin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-methylquinolin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-methylquinolin-2-yl)amino]propanoate is COC(=O)C(C)Nc1nc2ccccc2cc1C.
What is the InChIKey of methyl 2-[(3-methylquinolin-2-yl)amino]propanoate?
The InChIKey is ZQINFRBCMLCWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-8-11-6-4-5-7-12(11)16-13(9)15-10(2)14(17)18-3/h4-8,10H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(3-methylquinolin-2-yl)amino]propanoate?
methyl 2-[(3-methylquinolin-2-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-[(3-methylquinolin-2-yl)amino]propanoate is sourced from PubChem (CID 63229182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).