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

C26H22N2O3 — CID 10716491

IUPACmethyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H22N2O3/c1-31-26(30)24(16-18-10-4-2-5-11-18)28-25(29)21-17-23(19-12-6-3-7-13-19)27-22-15-9-8-14-20(21)22/h2-15,17,24H,16H2,1H3,(H,28,29)
InChIKeyMHAKERWYUZJBFW-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.42
Rot. Bonds6

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

methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate (PubChem CID 10716491) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate
PubChem CID10716491
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namemethyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H22N2O3/c1-31-26(30)24(16-18-10-4-2-5-11-18)28-25(29)21-17-23(19-12-6-3-7-13-19)27-22-15-9-8-14-20(21)22/h2-15,17,24H,16H2,1H3,(H,28,29)
InChIKeyMHAKERWYUZJBFW-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate (CID 10716491) is methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
The InChIKey is MHAKERWYUZJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-31-26(30)24(16-18-10-4-2-5-11-18)28-25(29)21-17-23(19-12-6-3-7-13-19)27-22-15-9-8-14-20(21)22/h2-15,17,24H,16H2,1H3,(H,28,29).
What are the key properties of methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate?
methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate has a molecular weight of 410.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]propanoate is sourced from PubChem (CID 10716491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).