methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate

C23H18N2O4 — CID 69058488

IUPACmethyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)21(15-8-3-2-4-9-15)25-22(26)17-14-19(20-12-7-13-29-20)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)/t21-/m1/s1
InChIKeyJFGSTVBGSQVNSI-OAQYLSRUSA-N
MW386.41 g/mol
LogP4.14
Rot. Bonds5

About methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate

methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 69058488) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID69058488
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namemethyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)21(15-8-3-2-4-9-15)25-22(26)17-14-19(20-12-7-13-29-20)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)/t21-/m1/s1
InChIKeyJFGSTVBGSQVNSI-OAQYLSRUSA-N
XLogP4.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 69058488) is methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is JFGSTVBGSQVNSI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-23(27)21(15-8-3-2-4-9-15)25-22(26)17-14-19(20-12-7-13-29-20)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)/t21-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 386.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 69058488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).