4-chloro-3-phenylcinnoline

C14H9ClN2 — CID 14920466

IUPAC4-chloro-3-phenylcinnoline
SMILESClc1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-17-14(13)10-6-2-1-3-7-10/h1-9H
InChIKeyPYDPPAOYSUUYBY-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.95
Rot. Bonds1

About 4-chloro-3-phenylcinnoline

4-chloro-3-phenylcinnoline (PubChem CID 14920466) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-3-phenylcinnoline.

Molecular Properties

Compound Name4-chloro-3-phenylcinnoline
PubChem CID14920466
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name4-chloro-3-phenylcinnoline
SMILESClc1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-17-14(13)10-6-2-1-3-7-10/h1-9H
InChIKeyPYDPPAOYSUUYBY-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 4-chloro-3-phenylcinnoline?
The IUPAC name of 4-chloro-3-phenylcinnoline (CID 14920466) is 4-chloro-3-phenylcinnoline.
What is the SMILES notation for 4-chloro-3-phenylcinnoline?
The canonical SMILES for 4-chloro-3-phenylcinnoline is Clc1c(-c2ccccc2)nnc2ccccc12.
What is the InChIKey of 4-chloro-3-phenylcinnoline?
The InChIKey is PYDPPAOYSUUYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-17-14(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 4-chloro-3-phenylcinnoline?
4-chloro-3-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 4-chloro-3-phenylcinnoline is sourced from PubChem (CID 14920466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).