methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate

C26H22N2O4 — CID 10788556

IUPACmethyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-31-19-13-14-20-21(16-22(27-23(20)15-19)17-9-5-3-6-10-17)25(29)28-24(26(30)32-2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,28,29)
InChIKeyLOUYRLGPBWKDEG-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.55
Rot. Bonds6

About methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate

methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate (PubChem CID 10788556) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate
PubChem CID10788556
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Namemethyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-31-19-13-14-20-21(16-22(27-23(20)15-19)17-9-5-3-6-10-17)25(29)28-24(26(30)32-2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,28,29)
InChIKeyLOUYRLGPBWKDEG-UHFFFAOYSA-N
XLogP4.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate (CID 10788556) is methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2cc(OC)ccc12)c1ccccc1.
What is the InChIKey of methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate?
The InChIKey is LOUYRLGPBWKDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-19-13-14-20-21(16-22(27-23(20)15-19)17-9-5-3-6-10-17)25(29)28-24(26(30)32-2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,28,29).
What are the key properties of methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate?
methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate has a molecular weight of 426.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxy-2-phenylquinoline-4-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 10788556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).