2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one

C26H23N3O3 — CID 135939388

IUPAC2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one
SMILESO=C(COCc1nc2ccccc2c(=O)[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C26H23N3O3/c30-25(17-32-16-24-27-23-13-7-6-12-21(23)26(31)28-24)29-14-19-10-4-5-11-20(19)22(15-29)18-8-2-1-3-9-18/h1-13,22H,14-17H2,(H,27,28,31)/t22-/m1/s1
InChIKeyMVETZDYAXTVSAS-JOCHJYFZSA-N
MW425.49 g/mol
LogP3.61
Rot. Bonds5

About 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one

2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one (PubChem CID 135939388) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one
PubChem CID135939388
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one
SMILESO=C(COCc1nc2ccccc2c(=O)[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C26H23N3O3/c30-25(17-32-16-24-27-23-13-7-6-12-21(23)26(31)28-24)29-14-19-10-4-5-11-20(19)22(15-29)18-8-2-1-3-9-18/h1-13,22H,14-17H2,(H,27,28,31)/t22-/m1/s1
InChIKeyMVETZDYAXTVSAS-JOCHJYFZSA-N
XLogP3.61
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96576705
2-chloro-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96582197
N-(9H-fluoren-2-yl)-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
CID 135907061
3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide
CID 94482519
2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
CID 136767041
2-(4-ethylsulfonylpiperazin-1-yl)-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874149
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 137303622
2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927
N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
CID 135893565
(2S,4S)-4-amino-1-[2-(1H-benzimidazol-2-ylmethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 70743530

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one (CID 135939388) is 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one is O=C(COCc1nc2ccccc2c(=O)[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one?
The InChIKey is MVETZDYAXTVSAS-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(17-32-16-24-27-23-13-7-6-12-21(23)26(31)28-24)29-14-19-10-4-5-11-20(19)22(15-29)18-8-2-1-3-9-18/h1-13,22H,14-17H2,(H,27,28,31)/t22-/m1/s1.
What are the key properties of 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one?
2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one has a molecular weight of 425.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135939388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).