methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate

C15H20N2O3 — CID 60860810

IUPACmethyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
SMILESCOC(=O)CCCC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-20-15(19)4-2-3-12(16)10-5-7-13-11(9-10)6-8-14(18)17-13/h5,7,9,12H,2-4,6,8,16H2,1H3,(H,17,18)
InChIKeyKZZLAOVCDXWMTB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds5

About methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate

methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate (PubChem CID 60860810) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
PubChem CID60860810
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
SMILESCOC(=O)CCCC(N)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-20-15(19)4-2-3-12(16)10-5-7-13-11(9-10)6-8-14(18)17-13/h5,7,9,12H,2-4,6,8,16H2,1H3,(H,17,18)
InChIKeyKZZLAOVCDXWMTB-UHFFFAOYSA-N
XLogP1.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320
methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296
methyl 6-amino-6-(1,3-dihydro-2-benzofuran-5-yl)hexanoate
CID 63019188
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate?
The IUPAC name of methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate (CID 60860810) is methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate.
What is the SMILES notation for methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate?
The canonical SMILES for methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate is COC(=O)CCCC(N)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate?
The InChIKey is KZZLAOVCDXWMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)4-2-3-12(16)10-5-7-13-11(9-10)6-8-14(18)17-13/h5,7,9,12H,2-4,6,8,16H2,1H3,(H,17,18).
What are the key properties of methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate?
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate has a molecular weight of 276.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate is sourced from PubChem (CID 60860810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).