ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide

C15H24N2O3 — CID 144654853

IUPACethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
SMILESCC.COc1[nH]c2c(c(=O)c1CNC(C)=O)CCCC2
InChIInChI=1S/C13H18N2O3.C2H6/c1-8(16)14-7-10-12(17)9-5-3-4-6-11(9)15-13(10)18-2;1-2/h3-7H2,1-2H3,(H,14,16)(H,15,17);1-2H3
InChIKeyRASXMNGBIHKXQR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.92
Rot. Bonds3

About ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide

ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 144654853) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
PubChem CID144654853
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
SMILESCC.COc1[nH]c2c(c(=O)c1CNC(C)=O)CCCC2
InChIInChI=1S/C13H18N2O3.C2H6/c1-8(16)14-7-10-12(17)9-5-3-4-6-11(9)15-13(10)18-2;1-2/h3-7H2,1-2H3,(H,14,16)(H,15,17);1-2H3
InChIKeyRASXMNGBIHKXQR-UHFFFAOYSA-N
XLogP1.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide (CID 144654853) is ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide is CC.COc1[nH]c2c(c(=O)c1CNC(C)=O)CCCC2.
What is the InChIKey of ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is RASXMNGBIHKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.C2H6/c1-8(16)14-7-10-12(17)9-5-3-4-6-11(9)15-13(10)18-2;1-2/h3-7H2,1-2H3,(H,14,16)(H,15,17);1-2H3.
What are the key properties of ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 144654853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).