methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate

C23H19NO5 — CID 118873800

IUPACmethyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
SMILESCOC(=O)C1=C(OC(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C23H19NO5/c1-27-23(26)19-13-21(19)29-22(25)12-15-6-10-18(11-7-15)28-14-17-9-8-16-4-2-3-5-20(16)24-17/h2-11H,12-14H2,1H3
InChIKeyVWLUXAMJRMABIK-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.73
Rot. Bonds7

About methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate

methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate (PubChem CID 118873800) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
PubChem CID118873800
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namemethyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
SMILESCOC(=O)C1=C(OC(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C23H19NO5/c1-27-23(26)19-13-21(19)29-22(25)12-15-6-10-18(11-7-15)28-14-17-9-8-16-4-2-3-5-20(16)24-17/h2-11H,12-14H2,1H3
InChIKeyVWLUXAMJRMABIK-UHFFFAOYSA-N
XLogP3.73
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
CID 67760741
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
CID 54314430
CID 162335511
CID 162335511
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate?
The IUPAC name of methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate (CID 118873800) is methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate.
What is the SMILES notation for methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate?
The canonical SMILES for methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate is COC(=O)C1=C(OC(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)C1.
What is the InChIKey of methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate?
The InChIKey is VWLUXAMJRMABIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-27-23(26)19-13-21(19)29-22(25)12-15-6-10-18(11-7-15)28-14-17-9-8-16-4-2-3-5-20(16)24-17/h2-11H,12-14H2,1H3.
What are the key properties of methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate?
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate is sourced from PubChem (CID 118873800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).