(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate

C13H13NO3 — CID 947564

IUPAC(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
SMILESCC(=O)OCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-8-3-4-10-6-11(7-17-9(2)15)13(16)14-12(10)5-8/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyZAXWOIORFMMGMG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.90
Rot. Bonds2

About (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate (PubChem CID 947564) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate.

Molecular Properties

Compound Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
PubChem CID947564
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
SMILESCC(=O)OCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-8-3-4-10-6-11(7-17-9(2)15)13(16)14-12(10)5-8/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyZAXWOIORFMMGMG-UHFFFAOYSA-N
XLogP1.90
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 177249673
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 951195
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 929587
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
2-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)acetamide
CID 1091876
[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate
CID 57245491
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 1017039
N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 951332

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate?
The IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate (CID 947564) is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate.
What is the SMILES notation for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate?
The canonical SMILES for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate is CC(=O)OCc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate?
The InChIKey is ZAXWOIORFMMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-3-4-10-6-11(7-17-9(2)15)13(16)14-12(10)5-8/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate?
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate has a molecular weight of 231.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate is sourced from PubChem (CID 947564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).