2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

C20H18N2O5 — CID 174370195

IUPAC2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccc2nc(C(=O)NCC(=O)O)ccc2c1.c1cc2cc(c1)OC2
InChIInChI=1S/C13H12N2O4.C7H6O/c1-19-9-3-5-10-8(6-9)2-4-11(15-10)13(18)14-7-12(16)17;1-2-6-4-7(3-1)8-5-6/h2-6H,7H2,1H3,(H,14,18)(H,16,17);1-4H,5H2
InChIKeyOTAIFCCDJCJLFE-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.64
Rot. Bonds4

About 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (PubChem CID 174370195) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.

Molecular Properties

Compound Name2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
PubChem CID174370195
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccc2nc(C(=O)NCC(=O)O)ccc2c1.c1cc2cc(c1)OC2
InChIInChI=1S/C13H12N2O4.C7H6O/c1-19-9-3-5-10-8(6-9)2-4-11(15-10)13(18)14-7-12(16)17;1-2-6-4-7(3-1)8-5-6/h2-6H,7H2,1H3,(H,14,18)(H,16,17);1-4H,5H2
InChIKeyOTAIFCCDJCJLFE-UHFFFAOYSA-N
XLogP2.64
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene with MolForge

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Related Compounds

6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
CID 174370193
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
CID 33318425
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272
N-[3-(furan-2-ylmethoxy)propyl]-6-methoxyquinoline-2-carboxamide
CID 78833071
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
CID 17489789
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
CID 175081432
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The IUPAC name of 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (CID 174370195) is 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.
What is the SMILES notation for 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The canonical SMILES for 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is COc1ccc2nc(C(=O)NCC(=O)O)ccc2c1.c1cc2cc(c1)OC2.
What is the InChIKey of 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The InChIKey is OTAIFCCDJCJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4.C7H6O/c1-19-9-3-5-10-8(6-9)2-4-11(15-10)13(18)14-7-12(16)17;1-2-6-4-7(3-1)8-5-6/h2-6H,7H2,1H3,(H,14,18)(H,16,17);1-4H,5H2.
What are the key properties of 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene has a molecular weight of 366.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxyquinoline-2-carbonyl)amino]acetic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is sourced from PubChem (CID 174370195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).