methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate

C22H17N3O4 — CID 75429912

IUPACmethyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc3ncccc3c2)c2cccnc12
InChIInChI=1S/C22H17N3O4/c1-28-20(26)13-29-19-9-8-18(16-5-3-11-24-21(16)19)25-22(27)15-6-7-17-14(12-15)4-2-10-23-17/h2-12H,13H2,1H3,(H,25,27)
InChIKeyAOYFQTBWVQWLDP-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate

methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate (PubChem CID 75429912) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate
PubChem CID75429912
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Namemethyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc3ncccc3c2)c2cccnc12
InChIInChI=1S/C22H17N3O4/c1-28-20(26)13-29-19-9-8-18(16-5-3-11-24-21(16)19)25-22(27)15-6-7-17-14(12-15)4-2-10-23-17/h2-12H,13H2,1H3,(H,25,27)
InChIKeyAOYFQTBWVQWLDP-UHFFFAOYSA-N
XLogP3.59
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
4-[[8-(2-methoxy-2-oxoethoxy)quinolin-5-yl]carbamoylamino]butanoic acid
CID 122087193
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
methyl 2-[5-[3-(2,6-difluorophenyl)prop-2-enoylamino]quinolin-8-yl]oxyacetate
CID 71847241
N-[8-[3-(3,5-dihydroxy-4-methylphenyl)-2-oxopropoxy]quinolin-5-yl]-3-fluorobenzamide
CID 159836881
2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
CID 71886791
N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
CID 62044989
methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
CID 2823273
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate?
The IUPAC name of methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate (CID 75429912) is methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate is COC(=O)COc1ccc(NC(=O)c2ccc3ncccc3c2)c2cccnc12.
What is the InChIKey of methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate?
The InChIKey is AOYFQTBWVQWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-28-20(26)13-29-19-9-8-18(16-5-3-11-24-21(16)19)25-22(27)15-6-7-17-14(12-15)4-2-10-23-17/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate?
methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate has a molecular weight of 387.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate is sourced from PubChem (CID 75429912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).