3-(ethoxymethyl)-1H-quinolin-2-one

C12H13NO2 — CID 119091123

IUPAC3-(ethoxymethyl)-1H-quinolin-2-one
SMILESCCOCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H13NO2/c1-2-15-8-10-7-9-5-3-4-6-11(9)13-12(10)14/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyLKXXCUMKMLWXJR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds3

About 3-(ethoxymethyl)-1H-quinolin-2-one

3-(ethoxymethyl)-1H-quinolin-2-one (PubChem CID 119091123) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-1H-quinolin-2-one
PubChem CID119091123
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(ethoxymethyl)-1H-quinolin-2-one
SMILESCCOCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H13NO2/c1-2-15-8-10-7-9-5-3-4-6-11(9)13-12(10)14/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyLKXXCUMKMLWXJR-UHFFFAOYSA-N
XLogP2.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxyquinoline
CID 6038
4-Methylquinolin-2-ol
CID 69088
N-(2-methylphenyl)prop-2-enamide
CID 3690178
2-Hydroxyquinoline-3-carbaldehyde
CID 589334
2-Quinolone-3-carboxylic acid
CID 332488
3-methylquinolin-2(1H)-one
CID 440987
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1H-quinolin-2-one?
The IUPAC name of 3-(ethoxymethyl)-1H-quinolin-2-one (CID 119091123) is 3-(ethoxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(ethoxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(ethoxymethyl)-1H-quinolin-2-one is CCOCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(ethoxymethyl)-1H-quinolin-2-one?
The InChIKey is LKXXCUMKMLWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-15-8-10-7-9-5-3-4-6-11(9)13-12(10)14/h3-7H,2,8H2,1H3,(H,13,14).
What are the key properties of 3-(ethoxymethyl)-1H-quinolin-2-one?
3-(ethoxymethyl)-1H-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 119091123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).