3-phenyl-2-propylisoquinolin-1-one

C18H17NO — CID 102338692

IUPAC3-phenyl-2-propylisoquinolin-1-one
SMILESCCCn1c(-c2ccccc2)cc2ccccc2c1=O
InChIInChI=1S/C18H17NO/c1-2-12-19-17(14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18(19)20/h3-11,13H,2,12H2,1H3
InChIKeyULOCDHRBBFRCFY-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.08
Rot. Bonds3

About 3-phenyl-2-propylisoquinolin-1-one

3-phenyl-2-propylisoquinolin-1-one (PubChem CID 102338692) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-phenyl-2-propylisoquinolin-1-one.

Molecular Properties

Compound Name3-phenyl-2-propylisoquinolin-1-one
PubChem CID102338692
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-phenyl-2-propylisoquinolin-1-one
SMILESCCCn1c(-c2ccccc2)cc2ccccc2c1=O
InChIInChI=1S/C18H17NO/c1-2-12-19-17(14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18(19)20/h3-11,13H,2,12H2,1H3
InChIKeyULOCDHRBBFRCFY-UHFFFAOYSA-N
XLogP4.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-6-propyl-1,6-naphthyridin-5-one
CID 15720869
hydrogen sulfite;2-phenyl-1-propylindole
CID 121433978
6-phenylisoquinolino[2,1-b]isoquinolin-8-one
CID 164679594
3-methyl-2,6-diphenyl-1-propylpyridin-4-one
CID 14517569
3-amino-2-pentylisoquinolin-1-one
CID 43162648
6-methyl-2-[(4-methylphenyl)methyl]-3-phenylisoquinolin-1-one
CID 10449864
1-pentyl-2-phenylindole
CID 54214068
3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
CID 82521239
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
10-propylacridin-3-one
CID 158430562
2-ethyl-3-methylsulfanylisoquinolin-1-one
CID 12593115

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propylisoquinolin-1-one?
The IUPAC name of 3-phenyl-2-propylisoquinolin-1-one (CID 102338692) is 3-phenyl-2-propylisoquinolin-1-one.
What is the SMILES notation for 3-phenyl-2-propylisoquinolin-1-one?
The canonical SMILES for 3-phenyl-2-propylisoquinolin-1-one is CCCn1c(-c2ccccc2)cc2ccccc2c1=O.
What is the InChIKey of 3-phenyl-2-propylisoquinolin-1-one?
The InChIKey is ULOCDHRBBFRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-12-19-17(14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18(19)20/h3-11,13H,2,12H2,1H3.
What are the key properties of 3-phenyl-2-propylisoquinolin-1-one?
3-phenyl-2-propylisoquinolin-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propylisoquinolin-1-one is sourced from PubChem (CID 102338692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).