methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate

C14H14N2O4 — CID 110489898

IUPACmethyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2cc(OC)ccc2c1
InChIInChI=1S/C14H14N2O4/c1-19-11-4-3-9-5-10(7-15-12(9)6-11)14(18)16-8-13(17)20-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyZMSLBQSMWZYKNA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.15
Rot. Bonds4

About methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate

methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate (PubChem CID 110489898) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
PubChem CID110489898
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2cc(OC)ccc2c1
InChIInChI=1S/C14H14N2O4/c1-19-11-4-3-9-5-10(7-15-12(9)6-11)14(18)16-8-13(17)20-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyZMSLBQSMWZYKNA-UHFFFAOYSA-N
XLogP1.15
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
CID 110490073
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
CID 155544242
7-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-3-carboxamide
CID 155559395
N-(2-hydroxyethyl)-6-methoxyquinoline-3-carboxamide
CID 110489941
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
CID 110489890
methyl 3-(6-methoxyquinolin-3-yl)-3-oxopropanoate
CID 82665608
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
7-methoxyquinoline-3-carboxylate;triethylazanium
CID 129247666
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate (CID 110489898) is methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc2cc(OC)ccc2c1.
What is the InChIKey of methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate?
The InChIKey is ZMSLBQSMWZYKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-11-4-3-9-5-10(7-15-12(9)6-11)14(18)16-8-13(17)20-2/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate?
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate has a molecular weight of 274.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 110489898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).