(Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid

C15H14N2O4 — CID 13471509

IUPAC(Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
SMILESCC(=O)N/C(=C\c1cc2ccccc2n(C)c1=O)C(=O)O
InChIInChI=1S/C15H14N2O4/c1-9(18)16-12(15(20)21)8-11-7-10-5-3-4-6-13(10)17(2)14(11)19/h3-8H,1-2H3,(H,16,18)(H,20,21)/b12-8-
InChIKeyGRHGXNAIVSFFQJ-WQLSENKSSA-N
MW286.29 g/mol
LogP1.10
Rot. Bonds3

About (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid

(Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid (PubChem CID 13471509) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
PubChem CID13471509
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
SMILESCC(=O)N/C(=C\c1cc2ccccc2n(C)c1=O)C(=O)O
InChIInChI=1S/C15H14N2O4/c1-9(18)16-12(15(20)21)8-11-7-10-5-3-4-6-13(10)17(2)14(11)19/h3-8H,1-2H3,(H,16,18)(H,20,21)/b12-8-
InChIKeyGRHGXNAIVSFFQJ-WQLSENKSSA-N
XLogP1.10
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid (CID 13471509) is (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid is CC(=O)N/C(=C\c1cc2ccccc2n(C)c1=O)C(=O)O.
What is the InChIKey of (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
The InChIKey is GRHGXNAIVSFFQJ-WQLSENKSSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(18)16-12(15(20)21)8-11-7-10-5-3-4-6-13(10)17(2)14(11)19/h3-8H,1-2H3,(H,16,18)(H,20,21)/b12-8-.
What are the key properties of (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid?
(Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 13471509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).