7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one

C14H17NO3 — CID 68502827

IUPAC7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one
SMILESCOCCCn1c(=O)ccc2ccc(CO)cc21
InChIInChI=1S/C14H17NO3/c1-18-8-2-7-15-13-9-11(10-16)3-4-12(13)5-6-14(15)17/h3-6,9,16H,2,7-8,10H2,1H3
InChIKeyIJAFDEVYIANGGG-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.53
Rot. Bonds5

About 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one

7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one (PubChem CID 68502827) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one
PubChem CID68502827
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one
SMILESCOCCCn1c(=O)ccc2ccc(CO)cc21
InChIInChI=1S/C14H17NO3/c1-18-8-2-7-15-13-9-11(10-16)3-4-12(13)5-6-14(15)17/h3-6,9,16H,2,7-8,10H2,1H3
InChIKeyIJAFDEVYIANGGG-UHFFFAOYSA-N
XLogP1.53
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one?
The IUPAC name of 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one (CID 68502827) is 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one.
What is the SMILES notation for 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one?
The canonical SMILES for 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one is COCCCn1c(=O)ccc2ccc(CO)cc21.
What is the InChIKey of 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one?
The InChIKey is IJAFDEVYIANGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-8-2-7-15-13-9-11(10-16)3-4-12(13)5-6-14(15)17/h3-6,9,16H,2,7-8,10H2,1H3.
What are the key properties of 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one?
7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1-(3-methoxypropyl)quinolin-2-one is sourced from PubChem (CID 68502827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).