2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one

C19H20N2O2 — CID 93211333

IUPAC2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
SMILESNCCCn1ccc2cc(OCc3ccccc3)ccc2c1=O
InChIInChI=1S/C19H20N2O2/c20-10-4-11-21-12-9-16-13-17(7-8-18(16)19(21)22)23-14-15-5-2-1-3-6-15/h1-3,5-9,12-13H,4,10-11,14,20H2
InChIKeyQRKPVSDZTWJAMZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.93
Rot. Bonds6

About 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one

2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one (PubChem CID 93211333) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
PubChem CID93211333
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
SMILESNCCCn1ccc2cc(OCc3ccccc3)ccc2c1=O
InChIInChI=1S/C19H20N2O2/c20-10-4-11-21-12-9-16-13-17(7-8-18(16)19(21)22)23-14-15-5-2-1-3-6-15/h1-3,5-9,12-13H,4,10-11,14,20H2
InChIKeyQRKPVSDZTWJAMZ-UHFFFAOYSA-N
XLogP2.93
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutyl)-6-butoxyisoquinolin-1-one
CID 82063089
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
7-(2-hydroxyacetyl)-2-[2-(4-phenylmethoxyphenoxy)ethyl]isoquinolin-1-one
CID 159647654
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810
4-(1-oxo-6-propoxyisoquinolin-2-yl)butanenitrile
CID 82152034
3-(6-butoxy-1-oxoisoquinolin-2-yl)propanenitrile
CID 82143590
acetic acid;tert-butyl 2-[3-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-2-oxoquinoxalin-1-yl]acetate
CID 173277878
3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine
CID 54271339
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one?
The IUPAC name of 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one (CID 93211333) is 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one?
The canonical SMILES for 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one is NCCCn1ccc2cc(OCc3ccccc3)ccc2c1=O.
What is the InChIKey of 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one?
The InChIKey is QRKPVSDZTWJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-10-4-11-21-12-9-16-13-17(7-8-18(16)19(21)22)23-14-15-5-2-1-3-6-15/h1-3,5-9,12-13H,4,10-11,14,20H2.
What are the key properties of 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one?
2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one has a molecular weight of 308.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one is sourced from PubChem (CID 93211333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).