cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate

C21H19NO3 — CID 123636048

IUPACcyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)OC1CC1
InChIInChI=1S/C21H19NO3/c23-21(25-19-11-12-19)13-15-5-9-18(10-6-15)24-14-17-8-7-16-3-1-2-4-20(16)22-17/h1-10,19H,11-14H2
InChIKeyDNXZCZDHJGVNGN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.06
Rot. Bonds6

About cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate

cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate (PubChem CID 123636048) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namecyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
PubChem CID123636048
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namecyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)OC1CC1
InChIInChI=1S/C21H19NO3/c23-21(25-19-11-12-19)13-15-5-9-18(10-6-15)24-14-17-8-7-16-3-1-2-4-20(16)22-17/h1-10,19H,11-14H2
InChIKeyDNXZCZDHJGVNGN-UHFFFAOYSA-N
XLogP4.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
[(5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 24832533
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
cyclopropyl 2-phenylacetate
CID 135066962
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
The IUPAC name of cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate (CID 123636048) is cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate is O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)OC1CC1.
What is the InChIKey of cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
The InChIKey is DNXZCZDHJGVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(25-19-11-12-19)13-15-5-9-18(10-6-15)24-14-17-8-7-16-3-1-2-4-20(16)22-17/h1-10,19H,11-14H2.
What are the key properties of cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate has a molecular weight of 333.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 123636048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).