methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate

C26H22N2O3 — CID 10835383

IUPACmethyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30)
InChIKeyKMYASPPGBOISOT-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.94
Rot. Bonds6

About methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate

methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate (PubChem CID 10835383) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate
PubChem CID10835383
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namemethyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30)
InChIKeyKMYASPPGBOISOT-UHFFFAOYSA-N
XLogP4.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate (CID 10835383) is methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
The InChIKey is KMYASPPGBOISOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30).
What are the key properties of methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate has a molecular weight of 410.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]propanoate is sourced from PubChem (CID 10835383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).