(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C21H18ClN3O2 — CID 7594748

IUPAC(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C21H18ClN3O2/c1-2-21(16-9-4-3-5-10-16)19(26)25(20(27)24-21)13-15-12-14-8-6-7-11-17(14)23-18(15)22/h3-12H,2,13H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyYPGIEOGLKHNWKF-NRFANRHFSA-N
MW379.85 g/mol
LogP4.25
Rot. Bonds4

About (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 7594748) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID7594748
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C21H18ClN3O2/c1-2-21(16-9-4-3-5-10-16)19(26)25(20(27)24-21)13-15-12-14-8-6-7-11-17(14)23-18(15)22/h3-12H,2,13H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyYPGIEOGLKHNWKF-NRFANRHFSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520323
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
(5S)-5-ethyl-5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 7242796
3-[(2-bromo-4-fluorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 24605688
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
(5R)-5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 51982999
5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 18166881
(5R)-3-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 6591239
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 2107551
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61237931

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 7594748) is (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is YPGIEOGLKHNWKF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-2-21(16-9-4-3-5-10-16)19(26)25(20(27)24-21)13-15-12-14-8-6-7-11-17(14)23-18(15)22/h3-12H,2,13H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 379.85 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7594748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).