methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate

C13H11ClN2O3 — CID 110490110

IUPACmethyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C13H11ClN2O3/c1-19-11(17)7-16-13(18)9-5-8-3-2-4-10(14)12(8)15-6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyIOWKSAFJYSQCKJ-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate

methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate (PubChem CID 110490110) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate
PubChem CID110490110
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C13H11ClN2O3/c1-19-11(17)7-16-13(18)9-5-8-3-2-4-10(14)12(8)15-6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyIOWKSAFJYSQCKJ-UHFFFAOYSA-N
XLogP1.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
CID 110490073
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
8-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489872
N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide
CID 110489878
8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide
CID 142533330
benzyl 2-[[2-[[8-[[3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carbonyl]amino]acetyl]amino]acetate
CID 74763382
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
methyl 2-[[5-(2-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 24891581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate (CID 110490110) is methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc2c(Cl)cccc2c1.
What is the InChIKey of methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate?
The InChIKey is IOWKSAFJYSQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-19-11(17)7-16-13(18)9-5-8-3-2-4-10(14)12(8)15-6-9/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate?
methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate has a molecular weight of 278.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 110490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).