ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid

C17H27NO4 — CID 143541163

IUPACethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
SMILESCC.CC.COc1ccc2c(c1)CCC(=O)N2CCC(=O)O
InChIInChI=1S/C13H15NO4.2C2H6/c1-18-10-3-4-11-9(8-10)2-5-12(15)14(11)7-6-13(16)17;2*1-2/h3-4,8H,2,5-7H2,1H3,(H,16,17);2*1-2H3
InChIKeyXYHPXSLQEHBAGS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.50
Rot. Bonds4

About ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid

ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid (PubChem CID 143541163) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
PubChem CID143541163
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Nameethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
SMILESCC.CC.COc1ccc2c(c1)CCC(=O)N2CCC(=O)O
InChIInChI=1S/C13H15NO4.2C2H6/c1-18-10-3-4-11-9(8-10)2-5-12(15)14(11)7-6-13(16)17;2*1-2/h3-4,8H,2,5-7H2,1H3,(H,16,17);2*1-2H3
InChIKeyXYHPXSLQEHBAGS-UHFFFAOYSA-N
XLogP3.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The IUPAC name of ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid (CID 143541163) is ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid.
What is the SMILES notation for ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The canonical SMILES for ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid is CC.CC.COc1ccc2c(c1)CCC(=O)N2CCC(=O)O.
What is the InChIKey of ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The InChIKey is XYHPXSLQEHBAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4.2C2H6/c1-18-10-3-4-11-9(8-10)2-5-12(15)14(11)7-6-13(16)17;2*1-2/h3-4,8H,2,5-7H2,1H3,(H,16,17);2*1-2H3.
What are the key properties of ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid has a molecular weight of 309.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid is sourced from PubChem (CID 143541163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).