6-chloro-2-methyl-4-phenylisoquinolin-1-one

C16H12ClNO — CID 139653195

IUPAC6-chloro-2-methyl-4-phenylisoquinolin-1-one
SMILESCn1cc(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H12ClNO/c1-18-10-15(11-5-3-2-4-6-11)14-9-12(17)7-8-13(14)16(18)19/h2-10H,1H3
InChIKeyXVIBOTCUZDMNAM-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.86
Rot. Bonds1

About 6-chloro-2-methyl-4-phenylisoquinolin-1-one

6-chloro-2-methyl-4-phenylisoquinolin-1-one (PubChem CID 139653195) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-phenylisoquinolin-1-one.

Molecular Properties

Compound Name6-chloro-2-methyl-4-phenylisoquinolin-1-one
PubChem CID139653195
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name6-chloro-2-methyl-4-phenylisoquinolin-1-one
SMILESCn1cc(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H12ClNO/c1-18-10-15(11-5-3-2-4-6-11)14-9-12(17)7-8-13(14)16(18)19/h2-10H,1H3
InChIKeyXVIBOTCUZDMNAM-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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Related Compounds

4-(3-aminophenyl)-2-methyl-6-phenylisoquinolin-1-one
CID 134310742
4-bromo-7-chloro-2-methylisoquinolin-1-one
CID 133054078
4-(4-fluorophenyl)-2-methylisoquinolin-1-one
CID 134913964
4-(3-amino-4-fluorophenyl)-2-methylisoquinolin-1-one
CID 118021689
2-chloro-6,12-diphenylchrysene
CID 58501171
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
4-(3-hydroxysulfanylphenyl)-2-methylisoquinolin-1-one
CID 134310761
N-[3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methanesulfinamide
CID 134310849
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818
3-iodo-4-methoxy-1-methyl-5-phenylpyridin-2-one
CID 25136620
7-chloro-2-methyl-1-oxoisoquinoline-4-sulfonyl chloride
CID 170733656
N-methyl-N-[3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methanesulfinamide;hydrate
CID 159919013

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-phenylisoquinolin-1-one?
The IUPAC name of 6-chloro-2-methyl-4-phenylisoquinolin-1-one (CID 139653195) is 6-chloro-2-methyl-4-phenylisoquinolin-1-one.
What is the SMILES notation for 6-chloro-2-methyl-4-phenylisoquinolin-1-one?
The canonical SMILES for 6-chloro-2-methyl-4-phenylisoquinolin-1-one is Cn1cc(-c2ccccc2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of 6-chloro-2-methyl-4-phenylisoquinolin-1-one?
The InChIKey is XVIBOTCUZDMNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-18-10-15(11-5-3-2-4-6-11)14-9-12(17)7-8-13(14)16(18)19/h2-10H,1H3.
What are the key properties of 6-chloro-2-methyl-4-phenylisoquinolin-1-one?
6-chloro-2-methyl-4-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 6-chloro-2-methyl-4-phenylisoquinolin-1-one is sourced from PubChem (CID 139653195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).