methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate

C14H13FN2O3 — CID 110489648

IUPACmethyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C14H13FN2O3/c1-20-12(18)5-6-16-14(19)10-7-9-3-2-4-11(15)13(9)17-8-10/h2-4,7-8H,5-6H2,1H3,(H,16,19)
InChIKeyZYJPJSBJUWYTAI-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.67
Rot. Bonds4

About methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate

methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate (PubChem CID 110489648) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
PubChem CID110489648
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Namemethyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C14H13FN2O3/c1-20-12(18)5-6-16-14(19)10-7-9-3-2-4-11(15)13(9)17-8-10/h2-4,7-8H,5-6H2,1H3,(H,16,19)
InChIKeyZYJPJSBJUWYTAI-UHFFFAOYSA-N
XLogP1.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate
CID 110490110
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-fluoro-N-pyridin-4-ylquinoline-3-carboxamide
CID 110489666
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide
CID 155089010
N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate (CID 110489648) is methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate?
The InChIKey is ZYJPJSBJUWYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-12(18)5-6-16-14(19)10-7-9-3-2-4-11(15)13(9)17-8-10/h2-4,7-8H,5-6H2,1H3,(H,16,19).
What are the key properties of methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate?
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate has a molecular weight of 276.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate is sourced from PubChem (CID 110489648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).