methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate

C25H20N2O3 — CID 4529080

IUPACmethyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)
InChIKeyIUMQXQJZIHWLIN-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.55
Rot. Bonds5

About methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate

methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate (PubChem CID 4529080) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
PubChem CID4529080
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Namemethyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)
InChIKeyIUMQXQJZIHWLIN-UHFFFAOYSA-N
XLogP4.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate (CID 4529080) is methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate is COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The InChIKey is IUMQXQJZIHWLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28).
What are the key properties of methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate has a molecular weight of 396.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 4529080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).