6-chloro-4-phenylcinnoline

C14H9ClN2 — CID 617608

IUPAC6-chloro-4-phenylcinnoline
SMILESClc1ccc2nncc(-c3ccccc3)c2c1
InChIInChI=1S/C14H9ClN2/c15-11-6-7-14-12(8-11)13(9-16-17-14)10-4-2-1-3-5-10/h1-9H
InChIKeyUGLVEGCHYLSDGU-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.95
Rot. Bonds1

About 6-chloro-4-phenylcinnoline

6-chloro-4-phenylcinnoline (PubChem CID 617608) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-4-phenylcinnoline.

Molecular Properties

Compound Name6-chloro-4-phenylcinnoline
PubChem CID617608
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name6-chloro-4-phenylcinnoline
SMILESClc1ccc2nncc(-c3ccccc3)c2c1
InChIInChI=1S/C14H9ClN2/c15-11-6-7-14-12(8-11)13(9-16-17-14)10-4-2-1-3-5-10/h1-9H
InChIKeyUGLVEGCHYLSDGU-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenylcinnoline?
The IUPAC name of 6-chloro-4-phenylcinnoline (CID 617608) is 6-chloro-4-phenylcinnoline.
What is the SMILES notation for 6-chloro-4-phenylcinnoline?
The canonical SMILES for 6-chloro-4-phenylcinnoline is Clc1ccc2nncc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenylcinnoline?
The InChIKey is UGLVEGCHYLSDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-11-6-7-14-12(8-11)13(9-16-17-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-chloro-4-phenylcinnoline?
6-chloro-4-phenylcinnoline has a molecular weight of 240.69 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenylcinnoline is sourced from PubChem (CID 617608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).