4-chloro-3-(phenoxymethyl)cinnoline

C15H11ClN2O — CID 10084528

IUPAC4-chloro-3-(phenoxymethyl)cinnoline
SMILESClc1c(COc2ccccc2)nnc2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-15-12-8-4-5-9-13(12)17-18-14(15)10-19-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCDYZRVZJZFFYDS-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-3-(phenoxymethyl)cinnoline

4-chloro-3-(phenoxymethyl)cinnoline (PubChem CID 10084528) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-3-(phenoxymethyl)cinnoline.

Molecular Properties

Compound Name4-chloro-3-(phenoxymethyl)cinnoline
PubChem CID10084528
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-chloro-3-(phenoxymethyl)cinnoline
SMILESClc1c(COc2ccccc2)nnc2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-15-12-8-4-5-9-13(12)17-18-14(15)10-19-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyCDYZRVZJZFFYDS-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(phenoxymethyl)cinnoline?
The IUPAC name of 4-chloro-3-(phenoxymethyl)cinnoline (CID 10084528) is 4-chloro-3-(phenoxymethyl)cinnoline.
What is the SMILES notation for 4-chloro-3-(phenoxymethyl)cinnoline?
The canonical SMILES for 4-chloro-3-(phenoxymethyl)cinnoline is Clc1c(COc2ccccc2)nnc2ccccc12.
What is the InChIKey of 4-chloro-3-(phenoxymethyl)cinnoline?
The InChIKey is CDYZRVZJZFFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-15-12-8-4-5-9-13(12)17-18-14(15)10-19-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 4-chloro-3-(phenoxymethyl)cinnoline?
4-chloro-3-(phenoxymethyl)cinnoline has a molecular weight of 270.72 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(phenoxymethyl)cinnoline is sourced from PubChem (CID 10084528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).