6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one

C18H19NO — CID 142314640

IUPAC6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC(C)c1ccc(-c2ccc3c(c2)CCNC3=O)cc1
InChIInChI=1S/C18H19NO/c1-12(2)13-3-5-14(6-4-13)15-7-8-17-16(11-15)9-10-19-18(17)20/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)
InChIKeySPYOYLRFAAHOOB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.76
Rot. Bonds2

About 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one

6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 142314640) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID142314640
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC(C)c1ccc(-c2ccc3c(c2)CCNC3=O)cc1
InChIInChI=1S/C18H19NO/c1-12(2)13-3-5-14(6-4-13)15-7-8-17-16(11-15)9-10-19-18(17)20/h3-8,11-12H,9-10H2,1-2H3,(H,19,20)
InChIKeySPYOYLRFAAHOOB-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one (CID 142314640) is 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one is CC(C)c1ccc(-c2ccc3c(c2)CCNC3=O)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is SPYOYLRFAAHOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)13-3-5-14(6-4-13)15-7-8-17-16(11-15)9-10-19-18(17)20/h3-8,11-12H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one?
6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 142314640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).