7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one

C14H17NO3 — CID 106931226

IUPAC7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCOCC3CC3)cc2N1
InChIInChI=1S/C14H17NO3/c16-14-6-4-11-3-5-12(7-13(11)15-14)18-9-17-8-10-1-2-10/h3,5,7,10H,1-2,4,6,8-9H2,(H,15,16)
InChIKeyQDHVSVWTFWDHMH-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.33
Rot. Bonds5

About 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one

7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106931226) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID106931226
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCOCC3CC3)cc2N1
InChIInChI=1S/C14H17NO3/c16-14-6-4-11-3-5-12(7-13(11)15-14)18-9-17-8-10-1-2-10/h3,5,7,10H,1-2,4,6,8-9H2,(H,15,16)
InChIKeyQDHVSVWTFWDHMH-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-[(5-methyloxolan-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103141087
7-(4-ethylcyclohexyl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114940266
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
dipotassium;1,4-bis(bromomethyl)cyclohexane;7-[[4-(bromomethyl)cyclohexyl]methoxy]-3,4-dihydro-1H-quinolin-2-one;hydride;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;oxido formate
CID 159895059
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939999

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 106931226) is 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCOCC3CC3)cc2N1.
What is the InChIKey of 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QDHVSVWTFWDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14-6-4-11-3-5-12(7-13(11)15-14)18-9-17-8-10-1-2-10/h3,5,7,10H,1-2,4,6,8-9H2,(H,15,16).
What are the key properties of 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106931226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).