(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate

C19H15NO3 — CID 175369136

IUPAC(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate
SMILESO=C(Oc1cncc2cc(Oc3ccccc3)ccc12)C1CC1
InChIInChI=1S/C19H15NO3/c21-19(13-6-7-13)23-18-12-20-11-14-10-16(8-9-17(14)18)22-15-4-2-1-3-5-15/h1-5,8-13H,6-7H2
InChIKeyFQRUCYZFWALHGH-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.34
Rot. Bonds4

About (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate

(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate (PubChem CID 175369136) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate
PubChem CID175369136
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate
SMILESO=C(Oc1cncc2cc(Oc3ccccc3)ccc12)C1CC1
InChIInChI=1S/C19H15NO3/c21-19(13-6-7-13)23-18-12-20-11-14-10-16(8-9-17(14)18)22-15-4-2-1-3-5-15/h1-5,8-13H,6-7H2
InChIKeyFQRUCYZFWALHGH-UHFFFAOYSA-N
XLogP4.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
3-(cyclopropanecarbonyl)-7-phenoxychromen-4-one
CID 139885698
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
6-phenoxyisoquinoline
CID 170278308
bromo 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
CID 155163629
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate
CID 70637741
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
hydron;phenyl cycloheptanecarboxylate
CID 174768034
4-(4-aminophenoxy)isoquinolin-7-amine
CID 66642834

Frequently Asked Questions

What is the IUPAC name of (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate?
The IUPAC name of (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate (CID 175369136) is (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate.
What is the SMILES notation for (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate?
The canonical SMILES for (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate is O=C(Oc1cncc2cc(Oc3ccccc3)ccc12)C1CC1.
What is the InChIKey of (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate?
The InChIKey is FQRUCYZFWALHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(13-6-7-13)23-18-12-20-11-14-10-16(8-9-17(14)18)22-15-4-2-1-3-5-15/h1-5,8-13H,6-7H2.
What are the key properties of (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate?
(7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate has a molecular weight of 305.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenoxyisoquinolin-4-yl) cyclopropanecarboxylate is sourced from PubChem (CID 175369136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).