(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C23H21ClN4O2 — CID 9349913

IUPAC(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1ccc2cc(/C=N\N3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)c(Cl)nc2c1
InChIInChI=1S/C23H21ClN4O2/c1-15-8-9-17-13-18(20(24)26-19(17)12-15)14-25-28-21(29)23(2,27-22(28)30)11-10-16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,27,30)/b25-14-/t23-/m0/s1
InChIKeyFBTVRJISPPXWDD-HAMGHATCSA-N
MW420.90 g/mol
LogP4.47
Rot. Bonds5

About (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 9349913) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID9349913
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1ccc2cc(/C=N\N3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)c(Cl)nc2c1
InChIInChI=1S/C23H21ClN4O2/c1-15-8-9-17-13-18(20(24)26-19(17)12-15)14-25-28-21(29)23(2,27-22(28)30)11-10-16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,27,30)/b25-14-/t23-/m0/s1
InChIKeyFBTVRJISPPXWDD-HAMGHATCSA-N
XLogP4.47
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[(Z)-(2,3-dichlorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349724
(5S)-5-methyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349665
(5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 135574391
(5R)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349955
1,5-dimethyl-4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]pyrrole-2-carbonitrile
CID 9349930
(5S)-5-methyl-3-[(Z)-(2-nitrophenyl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349708
(5R)-3-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 135788096
(5S)-5-methyl-5-(2-phenylethyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9349777
(5R)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349951
(5S)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349946
(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9045219
(5S)-3-[(Z)-(3-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349778

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 9349913) is (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is Cc1ccc2cc(/C=N\N3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)c(Cl)nc2c1.
What is the InChIKey of (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is FBTVRJISPPXWDD-HAMGHATCSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-8-9-17-13-18(20(24)26-19(17)12-15)14-25-28-21(29)23(2,27-22(28)30)11-10-16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,27,30)/b25-14-/t23-/m0/s1.
What are the key properties of (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 420.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9349913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).