(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C21H16FN3O3 — CID 31905671

IUPAC(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C21H16FN3O3/c22-16-8-7-13(18-14(16)4-3-10-23-18)12-25-19(26)21(24-20(25)27)9-11-28-17-6-2-1-5-15(17)21/h1-8,10H,9,11-12H2,(H,24,27)/t21-/m0/s1
InChIKeyNYWMXUCDHZRUAX-NRFANRHFSA-N
MW377.38 g/mol
LogP3.10
Rot. Bonds2

About (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 31905671) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID31905671
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C21H16FN3O3/c22-16-8-7-13(18-14(16)4-3-10-23-18)12-25-19(26)21(24-20(25)27)9-11-28-17-6-2-1-5-15(17)21/h1-8,10H,9,11-12H2,(H,24,27)/t21-/m0/s1
InChIKeyNYWMXUCDHZRUAX-NRFANRHFSA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[(5-chloroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 38867015
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 86982252
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
3'-[(5-chloro-2-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17411522
(4R)-3'-[(2-bromo-4,5-diethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096337
(4S)-3'-[(5-chlorothiadiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9450202
3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4883616
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
3'-(2-phenoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4876938
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide
CID 17440269

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 31905671) is (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(F)c2cccnc12.
What is the InChIKey of (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is NYWMXUCDHZRUAX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-16-8-7-13(18-14(16)4-3-10-23-18)12-25-19(26)21(24-20(25)27)9-11-28-17-6-2-1-5-15(17)21/h1-8,10H,9,11-12H2,(H,24,27)/t21-/m0/s1.
What are the key properties of (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 377.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 31905671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).