7-chloro-2-methyl-3-phenylisoquinolin-1-one

C16H12ClNO — CID 67653590

IUPAC7-chloro-2-methyl-3-phenylisoquinolin-1-one
SMILESCn1c(-c2ccccc2)cc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H12ClNO/c1-18-15(11-5-3-2-4-6-11)9-12-7-8-13(17)10-14(12)16(18)19/h2-10H,1H3
InChIKeyZUATUBOKBIPDQW-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.86
Rot. Bonds1

About 7-chloro-2-methyl-3-phenylisoquinolin-1-one

7-chloro-2-methyl-3-phenylisoquinolin-1-one (PubChem CID 67653590) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-phenylisoquinolin-1-one.

Molecular Properties

Compound Name7-chloro-2-methyl-3-phenylisoquinolin-1-one
PubChem CID67653590
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name7-chloro-2-methyl-3-phenylisoquinolin-1-one
SMILESCn1c(-c2ccccc2)cc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H12ClNO/c1-18-15(11-5-3-2-4-6-11)9-12-7-8-13(17)10-14(12)16(18)19/h2-10H,1H3
InChIKeyZUATUBOKBIPDQW-UHFFFAOYSA-N
XLogP3.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-phenylisoquinolin-1-one?
The IUPAC name of 7-chloro-2-methyl-3-phenylisoquinolin-1-one (CID 67653590) is 7-chloro-2-methyl-3-phenylisoquinolin-1-one.
What is the SMILES notation for 7-chloro-2-methyl-3-phenylisoquinolin-1-one?
The canonical SMILES for 7-chloro-2-methyl-3-phenylisoquinolin-1-one is Cn1c(-c2ccccc2)cc2ccc(Cl)cc2c1=O.
What is the InChIKey of 7-chloro-2-methyl-3-phenylisoquinolin-1-one?
The InChIKey is ZUATUBOKBIPDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-18-15(11-5-3-2-4-6-11)9-12-7-8-13(17)10-14(12)16(18)19/h2-10H,1H3.
What are the key properties of 7-chloro-2-methyl-3-phenylisoquinolin-1-one?
7-chloro-2-methyl-3-phenylisoquinolin-1-one has a molecular weight of 269.73 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-phenylisoquinolin-1-one is sourced from PubChem (CID 67653590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).