(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C21H18N4O3 — CID 41131523

IUPAC(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1nc2ccccc2nc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
InChIInChI=1S/C21H18N4O3/c1-13-17(23-16-8-4-3-7-15(16)22-13)12-25-19(26)21(24-20(25)27)10-11-28-18-9-5-2-6-14(18)21/h2-9H,10-12H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyCDLODWZKMQTRJZ-NRFANRHFSA-N
MW374.40 g/mol
LogP2.67
Rot. Bonds2

About (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 41131523) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID41131523
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1nc2ccccc2nc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
InChIInChI=1S/C21H18N4O3/c1-13-17(23-16-8-4-3-7-15(16)22-13)12-25-19(26)21(24-20(25)27)10-11-28-18-9-5-2-6-14(18)21/h2-9H,10-12H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyCDLODWZKMQTRJZ-NRFANRHFSA-N
XLogP2.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41130841
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
(4S)-3'-[(5-chlorothiadiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9450202
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
3'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46583103
(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 95582137
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 7831638
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 41131523) is (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is Cc1nc2ccccc2nc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O.
What is the InChIKey of (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is CDLODWZKMQTRJZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-17(23-16-8-4-3-7-15(16)22-13)12-25-19(26)21(24-20(25)27)10-11-28-18-9-5-2-6-14(18)21/h2-9H,10-12H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 374.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 41131523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).