methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate

C15H18N2O2 — CID 171618052

IUPACmethyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
SMILESCOC(=O)C(C)C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10(15(18)19-2)13(16)9-11-7-8-17-14-6-4-3-5-12(11)14/h3-8,10,13H,9,16H2,1-2H3
InChIKeyNAGDEFVPLZCXRZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.91
Rot. Bonds4

About methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate

methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate (PubChem CID 171618052) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
PubChem CID171618052
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
SMILESCOC(=O)C(C)C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-10(15(18)19-2)13(16)9-11-7-8-17-14-6-4-3-5-12(11)14/h3-8,10,13H,9,16H2,1-2H3
InChIKeyNAGDEFVPLZCXRZ-UHFFFAOYSA-N
XLogP1.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
CID 171618148
3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine
CID 114221993
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
methyl 2-methyl-3-quinolin-4-ylsulfanylpropanoate
CID 66115356
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009
(1-propan-2-yloxy-3-quinolin-4-ylpropan-2-yl)hydrazine
CID 105316331
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate?
The IUPAC name of methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate (CID 171618052) is methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate.
What is the SMILES notation for methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate?
The canonical SMILES for methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate is COC(=O)C(C)C(N)Cc1ccnc2ccccc12.
What is the InChIKey of methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate?
The InChIKey is NAGDEFVPLZCXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(15(18)19-2)13(16)9-11-7-8-17-14-6-4-3-5-12(11)14/h3-8,10,13H,9,16H2,1-2H3.
What are the key properties of methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate?
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate has a molecular weight of 258.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate is sourced from PubChem (CID 171618052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).