7-chloro-4-phenoxycinnoline

C14H9ClN2O — CID 596987

IUPAC7-chloro-4-phenoxycinnoline
SMILESClc1ccc2c(Oc3ccccc3)cnnc2c1
InChIInChI=1S/C14H9ClN2O/c15-10-6-7-12-13(8-10)17-16-9-14(12)18-11-4-2-1-3-5-11/h1-9H
InChIKeyKOFUJQXVPKCHAB-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.08
Rot. Bonds2

About 7-chloro-4-phenoxycinnoline

7-chloro-4-phenoxycinnoline (PubChem CID 596987) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 7-chloro-4-phenoxycinnoline.

Molecular Properties

Compound Name7-chloro-4-phenoxycinnoline
PubChem CID596987
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name7-chloro-4-phenoxycinnoline
SMILESClc1ccc2c(Oc3ccccc3)cnnc2c1
InChIInChI=1S/C14H9ClN2O/c15-10-6-7-12-13(8-10)17-16-9-14(12)18-11-4-2-1-3-5-11/h1-9H
InChIKeyKOFUJQXVPKCHAB-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-phenoxycinnoline?
The IUPAC name of 7-chloro-4-phenoxycinnoline (CID 596987) is 7-chloro-4-phenoxycinnoline.
What is the SMILES notation for 7-chloro-4-phenoxycinnoline?
The canonical SMILES for 7-chloro-4-phenoxycinnoline is Clc1ccc2c(Oc3ccccc3)cnnc2c1.
What is the InChIKey of 7-chloro-4-phenoxycinnoline?
The InChIKey is KOFUJQXVPKCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-10-6-7-12-13(8-10)17-16-9-14(12)18-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 7-chloro-4-phenoxycinnoline?
7-chloro-4-phenoxycinnoline has a molecular weight of 256.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-phenoxycinnoline is sourced from PubChem (CID 596987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).