8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one

C20H21NO — CID 123206639

IUPAC8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
SMILESCc1ccccc1-n1c(C(C)C)cc2cccc(C)c2c1=O
InChIInChI=1S/C20H21NO/c1-13(2)18-12-16-10-7-9-15(4)19(16)20(22)21(18)17-11-6-5-8-14(17)3/h5-13H,1-4H3
InChIKeySQKCPKWIUGVJLE-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.73
Rot. Bonds2

About 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one

8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one (PubChem CID 123206639) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
PubChem CID123206639
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
SMILESCc1ccccc1-n1c(C(C)C)cc2cccc(C)c2c1=O
InChIInChI=1S/C20H21NO/c1-13(2)18-12-16-10-7-9-15(4)19(16)20(22)21(18)17-11-6-5-8-14(17)3/h5-13H,1-4H3
InChIKeySQKCPKWIUGVJLE-UHFFFAOYSA-N
XLogP4.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid
CID 150799179
3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 153496332
2-amino-4-[[(1S)-1-[2-(2-iodophenyl)-8-methyl-1-oxoisoquinolin-3-yl]ethyl]amino]-6-methylpyrimidine-5-carbonitrile
CID 137476699
2-amino-4-[[(1S)-1-[8-fluoro-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]amino]-6-methylpyrimidine-5-carbonitrile
CID 137476621
2-amino-4-[1-[8-chloro-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78051639
3-[(1S)-1-aminoethyl]-2-(3-methoxy-1H-pyrazol-5-yl)-8-methylisoquinolin-1-one
CID 171062078
3-[1-[(5-amino-2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008898
3-[(1S)-1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008798
3-[(1S)-1-aminoethyl]-8-hydroxy-2-phenylisoquinolin-1-one
CID 71273824
8-methyl-2-phenyl-3-[(1S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one;sulfane
CID 159553330
1-(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl-(7H-purin-2-yl)azanide
CID 144514647
5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
CID 132821169

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one?
The IUPAC name of 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one (CID 123206639) is 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one?
The canonical SMILES for 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one is Cc1ccccc1-n1c(C(C)C)cc2cccc(C)c2c1=O.
What is the InChIKey of 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one?
The InChIKey is SQKCPKWIUGVJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-13(2)18-12-16-10-7-9-15(4)19(16)20(22)21(18)17-11-6-5-8-14(17)3/h5-13H,1-4H3.
What are the key properties of 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one?
8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 123206639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).