methyl 4-(quinolin-4-ylmethylamino)butanoate

C15H18N2O2 — CID 63867501

IUPACmethyl 4-(quinolin-4-ylmethylamino)butanoate
SMILESCOC(=O)CCCNCc1ccnc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-19-15(18)7-4-9-16-11-12-8-10-17-14-6-3-2-5-13(12)14/h2-3,5-6,8,10,16H,4,7,9,11H2,1H3
InChIKeyVSJGOVCIWFMKNP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.28
Rot. Bonds6

About methyl 4-(quinolin-4-ylmethylamino)butanoate

methyl 4-(quinolin-4-ylmethylamino)butanoate (PubChem CID 63867501) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-(quinolin-4-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(quinolin-4-ylmethylamino)butanoate
PubChem CID63867501
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 4-(quinolin-4-ylmethylamino)butanoate
SMILESCOC(=O)CCCNCc1ccnc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-19-15(18)7-4-9-16-11-12-8-10-17-14-6-3-2-5-13(12)14/h2-3,5-6,8,10,16H,4,7,9,11H2,1H3
InChIKeyVSJGOVCIWFMKNP-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
ethyl 2-(quinolin-4-ylmethylamino)acetate
CID 55251513
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
methyl 2-quinolin-4-yloxyacetate
CID 151479480

Frequently Asked Questions

What is the IUPAC name of methyl 4-(quinolin-4-ylmethylamino)butanoate?
The IUPAC name of methyl 4-(quinolin-4-ylmethylamino)butanoate (CID 63867501) is methyl 4-(quinolin-4-ylmethylamino)butanoate.
What is the SMILES notation for methyl 4-(quinolin-4-ylmethylamino)butanoate?
The canonical SMILES for methyl 4-(quinolin-4-ylmethylamino)butanoate is COC(=O)CCCNCc1ccnc2ccccc12.
What is the InChIKey of methyl 4-(quinolin-4-ylmethylamino)butanoate?
The InChIKey is VSJGOVCIWFMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-15(18)7-4-9-16-11-12-8-10-17-14-6-3-2-5-13(12)14/h2-3,5-6,8,10,16H,4,7,9,11H2,1H3.
What are the key properties of methyl 4-(quinolin-4-ylmethylamino)butanoate?
methyl 4-(quinolin-4-ylmethylamino)butanoate has a molecular weight of 258.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(quinolin-4-ylmethylamino)butanoate is sourced from PubChem (CID 63867501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).