7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione

C22H19N3O3 — CID 166098619

IUPAC7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCOc1ccccc1C1CC2(C1)NC(=O)N(c1cncc3ccccc13)C2=O
InChIInChI=1S/C22H19N3O3/c1-28-19-9-5-4-8-17(19)15-10-22(11-15)20(26)25(21(27)24-22)18-13-23-12-14-6-2-3-7-16(14)18/h2-9,12-13,15H,10-11H2,1H3,(H,24,27)
InChIKeyHNEFARNHWPQPSQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.62
Rot. Bonds3

About 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione

7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 166098619) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID166098619
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCOc1ccccc1C1CC2(C1)NC(=O)N(c1cncc3ccccc13)C2=O
InChIInChI=1S/C22H19N3O3/c1-28-19-9-5-4-8-17(19)15-10-22(11-15)20(26)25(21(27)24-22)18-13-23-12-14-6-2-3-7-16(14)18/h2-9,12-13,15H,10-11H2,1H3,(H,24,27)
InChIKeyHNEFARNHWPQPSQ-UHFFFAOYSA-N
XLogP3.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione with MolForge

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Related Compounds

VLA-UNK-cf7facf1-1
CID 156906651
Vla-ucb-29506327-1
CID 156906822
2-(4-ethyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 24817800
2,4-Imidazolidinedione, 3-(3-(dimethylamino)-2-methylpropyl)-5-(4-methoxyphenyl)-5-(3-pyridinyl)-
CID 3041699
RAL-THA-2d450e86-4
CID 156906710
RAL-THA-2d450e86-11
CID 156906717
RAL-THA-2d450e86-39
CID 156906734
(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
CID 156906961
N-(6-methoxy-3-pyridinyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42904443
US20240116946, Example 61
CID 171902656
US20240116946, Example 254
CID 171902842
(5S)-5-[(3-methoxyphenyl)methyl]-3-methyl-5-[1-(quinoxalin-5-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42322542

Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 166098619) is 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione is COc1ccccc1C1CC2(C1)NC(=O)N(c1cncc3ccccc13)C2=O.
What is the InChIKey of 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is HNEFARNHWPQPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-19-9-5-4-8-17(19)15-10-22(11-15)20(26)25(21(27)24-22)18-13-23-12-14-6-2-3-7-16(14)18/h2-9,12-13,15H,10-11H2,1H3,(H,24,27).
What are the key properties of 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 373.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-4-yl-2-(2-methoxyphenyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 166098619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).