4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one

C25H30N2O4 — CID 157445614

IUPAC4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one
SMILESO=C(CCC(O)CC1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H30N2O4/c28-23(16-22-15-20-3-1-2-4-21(20)17-26-22)9-10-24(29)18-5-7-19(8-6-18)25(30)27-11-13-31-14-12-27/h1-8,22-23,26,28H,9-17H2
InChIKeyPZWNDKJQADYNIM-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.59
Rot. Bonds7

About 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one

4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one (PubChem CID 157445614) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one
PubChem CID157445614
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one
SMILESO=C(CCC(O)CC1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H30N2O4/c28-23(16-22-15-20-3-1-2-4-21(20)17-26-22)9-10-24(29)18-5-7-19(8-6-18)25(30)27-11-13-31-14-12-27/h1-8,22-23,26,28H,9-17H2
InChIKeyPZWNDKJQADYNIM-UHFFFAOYSA-N
XLogP2.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one with MolForge

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Related Compounds

(4S)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]hexan-1-one
CID 159255305
N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119277751
6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 160878443
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
(3S)-3-methyl-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]morpholine
CID 93111764
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N-[3-[2,3-dihydro-1H-inden-2-yl-[dimethoxy(phenyl)methyl]amino]-2-hydroxypropyl]-4-(morpholine-4-carbonyl)benzamide
CID 118918255
(3S)-N-morpholin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896809
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one (CID 157445614) is 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one is O=C(CCC(O)CC1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one?
The InChIKey is PZWNDKJQADYNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-23(16-22-15-20-3-1-2-4-21(20)17-26-22)9-10-24(29)18-5-7-19(8-6-18)25(30)27-11-13-31-14-12-27/h1-8,22-23,26,28H,9-17H2.
What are the key properties of 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one?
4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one has a molecular weight of 422.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one is sourced from PubChem (CID 157445614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).