phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone

C19H19NO — CID 134849290

IUPACphenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone
SMILESCc1ccc2c(c1)C(C(=O)c1ccccc1)=NC(C)(C)C2
InChIInChI=1S/C19H19NO/c1-13-9-10-15-12-19(2,3)20-17(16(15)11-13)18(21)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyJMWOCZPIQAOBJN-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.00
Rot. Bonds2

About phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone

phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone (PubChem CID 134849290) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone
PubChem CID134849290
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Namephenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone
SMILESCc1ccc2c(c1)C(C(=O)c1ccccc1)=NC(C)(C)C2
InChIInChI=1S/C19H19NO/c1-13-9-10-15-12-19(2,3)20-17(16(15)11-13)18(21)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
InChIKeyJMWOCZPIQAOBJN-UHFFFAOYSA-N
XLogP4.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)(phenyl)methanone
CID 720205
1-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-2-one
CID 2865089
2,3-Dihydro-1-aza-benzo[de]anthracen-7-one
CID 636991
N-[(2-methylphenyl)(phenyl)methylene]benzamide
CID 4197856
16-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),9,11,13(17)-pentaen-8-one
CID 5242334
2-(1-Oxo-4-propan-2-yliminonaphthalen-2-yl)-4-propan-2-yliminonaphthalen-1-one
CID 44465701
10-Iminophenanthren-9-one
CID 283892
2-Hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
CID 2803521
2',5',5'-Trimethyl-4',5'-dihydro-4h-spiro[naphthalene-1,3'-pyrrol]-4-one
CID 3964479
[2-(3-Fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]-phenylmethanone
CID 138964805
1-(alpha-Acetylbenzyl)-3,3-dimethyl-3,4-dihydroisoquinoline
CID 78436461
(3-Methyl-3-phenylisoindol-1-yl)-phenylmethanone
CID 10335626

Frequently Asked Questions

What is the IUPAC name of phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone?
The IUPAC name of phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone (CID 134849290) is phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone.
What is the SMILES notation for phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone?
The canonical SMILES for phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone is Cc1ccc2c(c1)C(C(=O)c1ccccc1)=NC(C)(C)C2.
What is the InChIKey of phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone?
The InChIKey is JMWOCZPIQAOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-9-10-15-12-19(2,3)20-17(16(15)11-13)18(21)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3.
What are the key properties of phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone?
phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3,3,7-trimethyl-4H-isoquinolin-1-yl)methanone is sourced from PubChem (CID 134849290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).