2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline

C19H17NO3 — CID 19864853

IUPAC2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc3ccccc3n2)cc(C2OCCO2)c1
InChIInChI=1S/C19H17NO3/c1-2-7-18-14(4-1)8-9-16(20-18)13-23-17-6-3-5-15(12-17)19-21-10-11-22-19/h1-9,12,19H,10-11,13H2
InChIKeyUMLOQPBQMCQLMG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds4

About 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline

2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline (PubChem CID 19864853) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
PubChem CID19864853
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
SMILESc1cc(OCc2ccc3ccccc3n2)cc(C2OCCO2)c1
InChIInChI=1S/C19H17NO3/c1-2-7-18-14(4-1)8-9-16(20-18)13-23-17-6-3-5-15(12-17)19-21-10-11-22-19/h1-9,12,19H,10-11,13H2
InChIKeyUMLOQPBQMCQLMG-UHFFFAOYSA-N
XLogP3.86
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(1,3-dithian-2-yl)phenoxy]methyl]quinoline
CID 14774169
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline (CID 19864853) is 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline is c1cc(OCc2ccc3ccccc3n2)cc(C2OCCO2)c1.
What is the InChIKey of 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline?
The InChIKey is UMLOQPBQMCQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-7-18-14(4-1)8-9-16(20-18)13-23-17-6-3-5-15(12-17)19-21-10-11-22-19/h1-9,12,19H,10-11,13H2.
What are the key properties of 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline?
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline has a molecular weight of 307.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 19864853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).