methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate

C27H20N2O4 — CID 10160182

IUPACmethyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C27H20N2O4/c1-32-27(31)25(17-9-3-2-4-10-17)29-26(30)20-16-22(28-21-13-7-6-12-19(20)21)24-15-18-11-5-8-14-23(18)33-24/h2-16,25H,1H3,(H,29,30)
InChIKeyZLODJFMIOPIMTQ-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.29
Rot. Bonds5

About methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate

methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10160182) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10160182
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC Namemethyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C27H20N2O4/c1-32-27(31)25(17-9-3-2-4-10-17)29-26(30)20-16-22(28-21-13-7-6-12-19(20)21)24-15-18-11-5-8-14-23(18)33-24/h2-16,25H,1H3,(H,29,30)
InChIKeyZLODJFMIOPIMTQ-UHFFFAOYSA-N
XLogP5.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
N-(1-Benzofuran-2-Ylmethyl)-N'-(1,2,3,4-Tetrahydroacridin-9-Yl)heptane-1,7-Diamine
CID 91864546
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 903397
Methyl 1-(2-(furan-2-yl)quinoline-4-carbonyl)piperidine-4-carboxylate
CID 2420130
Cr-3465
CID 71474171
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid
CID 6906548
2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
CID 45105267
6-Methoxy-2-(piperidin-1-ylcarbonyl)furo[2,3-b]quinoline
CID 3237525
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2347318

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10160182) is methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is ZLODJFMIOPIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O4/c1-32-27(31)25(17-9-3-2-4-10-17)29-26(30)20-16-22(28-21-13-7-6-12-19(20)21)24-15-18-11-5-8-14-23(18)33-24/h2-16,25H,1H3,(H,29,30).
What are the key properties of methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 436.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-benzofuran-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10160182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).