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

C13H18N2O3 — CID 118544393

IUPACN-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1[nH]c2c(c(=O)c1CNC(C)=O)CCCC2
InChIInChI=1S/C13H18N2O3/c1-8(16)14-7-10-12(17)9-5-3-4-6-11(9)15-13(10)18-2/h3-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZDKCGTLUGFCRDF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.90
Rot. Bonds3

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

N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 118544393) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
PubChem CID118544393
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1[nH]c2c(c(=O)c1CNC(C)=O)CCCC2
InChIInChI=1S/C13H18N2O3/c1-8(16)14-7-10-12(17)9-5-3-4-6-11(9)15-13(10)18-2/h3-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZDKCGTLUGFCRDF-UHFFFAOYSA-N
XLogP0.90
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide (CID 118544393) is N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide is COc1[nH]c2c(c(=O)c1CNC(C)=O)CCCC2.
What is the InChIKey of N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is ZDKCGTLUGFCRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(16)14-7-10-12(17)9-5-3-4-6-11(9)15-13(10)18-2/h3-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide?
N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 118544393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).