(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione

C26H31N3O2 — CID 124649351

IUPAC(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
SMILESCCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C26H31N3O2/c1-6-29-23-12-17(2)20(13-21(23)18(3)15-26(29,4)5)14-22-24(30)28(25(31)27-22)16-19-10-8-7-9-11-19/h7-14,18H,6,15-16H2,1-5H3,(H,27,31)/b22-14-/t18-/m1/s1
InChIKeyKOEJRTSIBRUHDV-QWQBBLJPSA-N
MW417.55 g/mol
LogP5.20
Rot. Bonds4

About (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 124649351) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
PubChem CID124649351
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
SMILESCCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C26H31N3O2/c1-6-29-23-12-17(2)20(13-21(23)18(3)15-26(29,4)5)14-22-24(30)28(25(31)27-22)16-19-10-8-7-9-11-19/h7-14,18H,6,15-16H2,1-5H3,(H,27,31)/b22-14-/t18-/m1/s1
InChIKeyKOEJRTSIBRUHDV-QWQBBLJPSA-N
XLogP5.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5E)-3-benzyl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50862816
(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885982
(5E)-3-benzyl-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50863343
(5E)-5-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 50861578
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 50862079
(5E)-3-benzyl-5-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50860777
2-[(4E)-4-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 50860719
(5Z)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124649289
(5Z)-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 132666681
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 132671399
(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885860
2-[(4E)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50862743

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione (CID 124649351) is (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione is CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is KOEJRTSIBRUHDV-QWQBBLJPSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-6-29-23-12-17(2)20(13-21(23)18(3)15-26(29,4)5)14-22-24(30)28(25(31)27-22)16-19-10-8-7-9-11-19/h7-14,18H,6,15-16H2,1-5H3,(H,27,31)/b22-14-/t18-/m1/s1.
What are the key properties of (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 417.55 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 124649351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).