7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one

C16H12ClNO — CID 101265123

IUPAC7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one
SMILESCC1C(=O)N=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H12ClNO/c1-10-13-8-7-12(17)9-14(13)15(18-16(10)19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyAKLMPHRYXSXSOE-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.82
Rot. Bonds1

About 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one

7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one (PubChem CID 101265123) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one.

Molecular Properties

Compound Name7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one
PubChem CID101265123
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one
SMILESCC1C(=O)N=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H12ClNO/c1-10-13-8-7-12(17)9-14(13)15(18-16(10)19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyAKLMPHRYXSXSOE-UHFFFAOYSA-N
XLogP3.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-3,5-dimethyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 71131573
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
(3R)-8-chloro-3-methyl-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 157156867
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
(3Z)-3-benzylidene-7-chloro-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 135723783
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
CID 12612536
3-(2-aminoethyl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 167076834
7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67789785
7-chloro-5-(3-chlorophenyl)-1-phenyl-3H-2-benzazepine
CID 71336764
6-chloro-3-phenyl-2-trimethylsilylinden-1-one
CID 102078597

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one?
The IUPAC name of 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one (CID 101265123) is 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one.
What is the SMILES notation for 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one?
The canonical SMILES for 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one is CC1C(=O)N=C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one?
The InChIKey is AKLMPHRYXSXSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-13-8-7-12(17)9-14(13)15(18-16(10)19)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one?
7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one has a molecular weight of 269.73 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1-phenyl-4H-isoquinolin-3-one is sourced from PubChem (CID 101265123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).