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

C26H22N2O3 — CID 10740312

IUPACmethyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O3/c1-17-12-14-18(15-13-17)23-16-21(20-10-6-7-11-22(20)27-23)25(29)28-24(26(30)31-2)19-8-4-3-5-9-19/h3-16,24H,1-2H3,(H,28,29)
InChIKeyRNBUDPAYILRZRF-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.85
Rot. Bonds5

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

methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10740312) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10740312
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namemethyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O3/c1-17-12-14-18(15-13-17)23-16-21(20-10-6-7-11-22(20)27-23)25(29)28-24(26(30)31-2)19-8-4-3-5-9-19/h3-16,24H,1-2H3,(H,28,29)
InChIKeyRNBUDPAYILRZRF-UHFFFAOYSA-N
XLogP4.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10740312) is methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is RNBUDPAYILRZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-17-12-14-18(15-13-17)23-16-21(20-10-6-7-11-22(20)27-23)25(29)28-24(26(30)31-2)19-8-4-3-5-9-19/h3-16,24H,1-2H3,(H,28,29).
What are the key properties of methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 410.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10740312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).