[2-(3-methoxypropoxy)quinolin-4-yl]methanol

C14H17NO3 — CID 59177432

IUPAC[2-(3-methoxypropoxy)quinolin-4-yl]methanol
SMILESCOCCCOc1cc(CO)c2ccccc2n1
InChIInChI=1S/C14H17NO3/c1-17-7-4-8-18-14-9-11(10-16)12-5-2-3-6-13(12)15-14/h2-3,5-6,9,16H,4,7-8,10H2,1H3
InChIKeyJINKMYAKELFBSF-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.14
Rot. Bonds6

About [2-(3-methoxypropoxy)quinolin-4-yl]methanol

[2-(3-methoxypropoxy)quinolin-4-yl]methanol (PubChem CID 59177432) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-(3-methoxypropoxy)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-methoxypropoxy)quinolin-4-yl]methanol
PubChem CID59177432
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-(3-methoxypropoxy)quinolin-4-yl]methanol
SMILESCOCCCOc1cc(CO)c2ccccc2n1
InChIInChI=1S/C14H17NO3/c1-17-7-4-8-18-14-9-11(10-16)12-5-2-3-6-13(12)15-14/h2-3,5-6,9,16H,4,7-8,10H2,1H3
InChIKeyJINKMYAKELFBSF-UHFFFAOYSA-N
XLogP2.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.14
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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Related Compounds

[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol
CID 114470405
[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
CID 63648216
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
9-(4-methoxybutyl)acridine
CID 54573696
[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol
CID 103340021

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropoxy)quinolin-4-yl]methanol?
The IUPAC name of [2-(3-methoxypropoxy)quinolin-4-yl]methanol (CID 59177432) is [2-(3-methoxypropoxy)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(3-methoxypropoxy)quinolin-4-yl]methanol?
The canonical SMILES for [2-(3-methoxypropoxy)quinolin-4-yl]methanol is COCCCOc1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-(3-methoxypropoxy)quinolin-4-yl]methanol?
The InChIKey is JINKMYAKELFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-7-4-8-18-14-9-11(10-16)12-5-2-3-6-13(12)15-14/h2-3,5-6,9,16H,4,7-8,10H2,1H3.
What are the key properties of [2-(3-methoxypropoxy)quinolin-4-yl]methanol?
[2-(3-methoxypropoxy)quinolin-4-yl]methanol has a molecular weight of 247.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropoxy)quinolin-4-yl]methanol is sourced from PubChem (CID 59177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).