methyl 4-amino-3-quinolin-8-ylpentanoate

C15H18N2O2 — CID 66097911

IUPACmethyl 4-amino-3-quinolin-8-ylpentanoate
SMILESCOC(=O)CC(c1cccc2cccnc12)C(C)N
InChIInChI=1S/C15H18N2O2/c1-10(16)13(9-14(18)19-2)12-7-3-5-11-6-4-8-17-15(11)12/h3-8,10,13H,9,16H2,1-2H3
InChIKeyDECIDBJVQPXPFN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

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

methyl 4-amino-3-quinolin-8-ylpentanoate (PubChem CID 66097911) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 4-amino-3-quinolin-8-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-quinolin-8-ylpentanoate
PubChem CID66097911
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 4-amino-3-quinolin-8-ylpentanoate
SMILESCOC(=O)CC(c1cccc2cccnc12)C(C)N
InChIInChI=1S/C15H18N2O2/c1-10(16)13(9-14(18)19-2)12-7-3-5-11-6-4-8-17-15(11)12/h3-8,10,13H,9,16H2,1-2H3
InChIKeyDECIDBJVQPXPFN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
CID 104823955
methyl 3,4-dihydroxy-4-(2-methoxy-3-pyridinyl)butanoate
CID 171895384
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-quinolin-8-ylpentanoate?
The IUPAC name of methyl 4-amino-3-quinolin-8-ylpentanoate (CID 66097911) is methyl 4-amino-3-quinolin-8-ylpentanoate.
What is the SMILES notation for methyl 4-amino-3-quinolin-8-ylpentanoate?
The canonical SMILES for methyl 4-amino-3-quinolin-8-ylpentanoate is COC(=O)CC(c1cccc2cccnc12)C(C)N.
What is the InChIKey of methyl 4-amino-3-quinolin-8-ylpentanoate?
The InChIKey is DECIDBJVQPXPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(16)13(9-14(18)19-2)12-7-3-5-11-6-4-8-17-15(11)12/h3-8,10,13H,9,16H2,1-2H3.
What are the key properties of methyl 4-amino-3-quinolin-8-ylpentanoate?
methyl 4-amino-3-quinolin-8-ylpentanoate has a molecular weight of 258.32 g/mol, XLogP of 2.23, 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-ylpentanoate is sourced from PubChem (CID 66097911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).