4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one

C23H24N2O3 — CID 95859088

IUPAC4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one
SMILESCC(C)n1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O
InChIInChI=1S/C23H24N2O3/c1-16(2)25-14-20(18-10-6-7-11-19(18)23(25)27)22(26)24-12-13-28-21(15-24)17-8-4-3-5-9-17/h3-11,14,16,21H,12-13,15H2,1-2H3/t21-/m0/s1
InChIKeyJVTWBODGKBPNRO-NRFANRHFSA-N
MW376.46 g/mol
LogP3.80
Rot. Bonds3

About 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one

4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one (PubChem CID 95859088) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one
PubChem CID95859088
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one
SMILESCC(C)n1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O
InChIInChI=1S/C23H24N2O3/c1-16(2)25-14-20(18-10-6-7-11-19(18)23(25)27)22(26)24-12-13-28-21(15-24)17-8-4-3-5-9-17/h3-11,14,16,21H,12-13,15H2,1-2H3/t21-/m0/s1
InChIKeyJVTWBODGKBPNRO-NRFANRHFSA-N
XLogP3.80
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
CID 55948397
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one?
The IUPAC name of 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one (CID 95859088) is 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one?
The canonical SMILES for 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one is CC(C)n1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O.
What is the InChIKey of 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one?
The InChIKey is JVTWBODGKBPNRO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(2)25-14-20(18-10-6-7-11-19(18)23(25)27)22(26)24-12-13-28-21(15-24)17-8-4-3-5-9-17/h3-11,14,16,21H,12-13,15H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one?
4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 95859088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).