methyl 4-amino-3-quinolin-8-ylbutanoate

C14H16N2O2 — CID 66098918

IUPACmethyl 4-amino-3-quinolin-8-ylbutanoate
SMILESCOC(=O)CC(CN)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O2/c1-18-13(17)8-11(9-15)12-6-2-4-10-5-3-7-16-14(10)12/h2-7,11H,8-9,15H2,1H3
InChIKeyIOJDYHRTRRUAKG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.84
Rot. Bonds4

About methyl 4-amino-3-quinolin-8-ylbutanoate

methyl 4-amino-3-quinolin-8-ylbutanoate (PubChem CID 66098918) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-amino-3-quinolin-8-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-quinolin-8-ylbutanoate
PubChem CID66098918
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 4-amino-3-quinolin-8-ylbutanoate
SMILESCOC(=O)CC(CN)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O2/c1-18-13(17)8-11(9-15)12-6-2-4-10-5-3-7-16-14(10)12/h2-7,11H,8-9,15H2,1H3
InChIKeyIOJDYHRTRRUAKG-UHFFFAOYSA-N
XLogP1.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
CID 63969784
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
methyl 4-amino-3-[2-(difluoromethoxy)phenyl]butanoate
CID 66098301
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-quinolin-8-ylbutanoate?
The IUPAC name of methyl 4-amino-3-quinolin-8-ylbutanoate (CID 66098918) is methyl 4-amino-3-quinolin-8-ylbutanoate.
What is the SMILES notation for methyl 4-amino-3-quinolin-8-ylbutanoate?
The canonical SMILES for methyl 4-amino-3-quinolin-8-ylbutanoate is COC(=O)CC(CN)c1cccc2cccnc12.
What is the InChIKey of methyl 4-amino-3-quinolin-8-ylbutanoate?
The InChIKey is IOJDYHRTRRUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13(17)8-11(9-15)12-6-2-4-10-5-3-7-16-14(10)12/h2-7,11H,8-9,15H2,1H3.
What are the key properties of methyl 4-amino-3-quinolin-8-ylbutanoate?
methyl 4-amino-3-quinolin-8-ylbutanoate has a molecular weight of 244.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-quinolin-8-ylbutanoate is sourced from PubChem (CID 66098918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).