methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate

C20H18N2O4 — CID 3998366

IUPACmethyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-26-20(25)17(11-13-7-3-2-4-8-13)22-19(24)15-12-18(23)21-16-10-6-5-9-14(15)16/h2-10,12,17H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyPWBLWVLXMGIXNP-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate

methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate (PubChem CID 3998366) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate
PubChem CID3998366
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-26-20(25)17(11-13-7-3-2-4-8-13)22-19(24)15-12-18(23)21-16-10-6-5-9-14(15)16/h2-10,12,17H,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyPWBLWVLXMGIXNP-UHFFFAOYSA-N
XLogP2.04
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate (CID 3998366) is methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is PWBLWVLXMGIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-26-20(25)17(11-13-7-3-2-4-8-13)22-19(24)15-12-18(23)21-16-10-6-5-9-14(15)16/h2-10,12,17H,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate?
methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 350.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 3998366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).