methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

C25H20N2O4 — CID 135406470

IUPACmethyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O4/c1-31-25(30)23(17-7-3-2-4-8-17)27-24(29)20-15-22(16-11-13-18(28)14-12-16)26-21-10-6-5-9-19(20)21/h2-15,23,28H,1H3,(H,27,29)
InChIKeyKRJLKXJBFDJOJK-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 135406470) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID135406470
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Namemethyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O4/c1-31-25(30)23(17-7-3-2-4-8-17)27-24(29)20-15-22(16-11-13-18(28)14-12-16)26-21-10-6-5-9-19(20)21/h2-15,23,28H,1H3,(H,27,29)
InChIKeyKRJLKXJBFDJOJK-UHFFFAOYSA-N
XLogP4.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 135406470) is methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is KRJLKXJBFDJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-31-25(30)23(17-7-3-2-4-8-17)27-24(29)20-15-22(16-11-13-18(28)14-12-16)26-21-10-6-5-9-19(20)21/h2-15,23,28H,1H3,(H,27,29).
What are the key properties of methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 412.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-hydroxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 135406470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).