methyl 4-oxo-4-(quinolin-8-ylamino)butanoate

C14H14N2O3 — CID 47150813

IUPACmethyl 4-oxo-4-(quinolin-8-ylamino)butanoate
SMILESCOC(=O)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H14N2O3/c1-19-13(18)8-7-12(17)16-11-6-2-4-10-5-3-9-15-14(10)11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyXHDBYNMTKNJNPZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.13
Rot. Bonds4

About methyl 4-oxo-4-(quinolin-8-ylamino)butanoate

methyl 4-oxo-4-(quinolin-8-ylamino)butanoate (PubChem CID 47150813) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-oxo-4-(quinolin-8-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(quinolin-8-ylamino)butanoate
PubChem CID47150813
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 4-oxo-4-(quinolin-8-ylamino)butanoate
SMILESCOC(=O)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H14N2O3/c1-19-13(18)8-7-12(17)16-11-6-2-4-10-5-3-9-15-14(10)11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyXHDBYNMTKNJNPZ-UHFFFAOYSA-N
XLogP2.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-8-ylundecanamide
CID 3567928
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978120
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(quinolin-8-ylamino)butanoate?
The IUPAC name of methyl 4-oxo-4-(quinolin-8-ylamino)butanoate (CID 47150813) is methyl 4-oxo-4-(quinolin-8-ylamino)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(quinolin-8-ylamino)butanoate?
The canonical SMILES for methyl 4-oxo-4-(quinolin-8-ylamino)butanoate is COC(=O)CCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of methyl 4-oxo-4-(quinolin-8-ylamino)butanoate?
The InChIKey is XHDBYNMTKNJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-13(18)8-7-12(17)16-11-6-2-4-10-5-3-9-15-14(10)11/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of methyl 4-oxo-4-(quinolin-8-ylamino)butanoate?
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate has a molecular weight of 258.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(quinolin-8-ylamino)butanoate is sourced from PubChem (CID 47150813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).