3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one

C28H23ClN4O2 — CID 5161149

IUPAC3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
SMILESCOc1ccc(C=C2NC(c3ccccc3)N(N=Cc3cc4cc(C)ccc4nc3Cl)C2=O)cc1
InChIInChI=1S/C28H23ClN4O2/c1-18-8-13-24-21(14-18)16-22(26(29)31-24)17-30-33-27(20-6-4-3-5-7-20)32-25(28(33)34)15-19-9-11-23(35-2)12-10-19/h3-17,27,32H,1-2H3
InChIKeyQZCHVMBIQVLPAQ-UHFFFAOYSA-N
MW482.97 g/mol
LogP5.71
Rot. Bonds5

About 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one

3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one (PubChem CID 5161149) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
PubChem CID5161149
Molecular FormulaC28H23ClN4O2
Molecular Weight482.97 g/mol
Exact Mass482.15
IUPAC Name3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
SMILESCOc1ccc(C=C2NC(c3ccccc3)N(N=Cc3cc4cc(C)ccc4nc3Cl)C2=O)cc1
InChIInChI=1S/C28H23ClN4O2/c1-18-8-13-24-21(14-18)16-22(26(29)31-24)17-30-33-27(20-6-4-3-5-7-20)32-25(28(33)34)15-19-9-11-23(35-2)12-10-19/h3-17,27,32H,1-2H3
InChIKeyQZCHVMBIQVLPAQ-UHFFFAOYSA-N
XLogP5.71
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
CID 9072493
(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012708
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
(5S)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349913
11-[(4-methoxyphenyl)methylidene]-2-methylindeno[1,2-b]quinoxaline
CID 6612151
2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
CID 581822
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 6892736
5-[(2-chloro-6,7-dimethoxyquinolin-3-yl)methylidene]-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90699585
(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 45124564

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one?
The IUPAC name of 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one (CID 5161149) is 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one is COc1ccc(C=C2NC(c3ccccc3)N(N=Cc3cc4cc(C)ccc4nc3Cl)C2=O)cc1.
What is the InChIKey of 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one?
The InChIKey is QZCHVMBIQVLPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c1-18-8-13-24-21(14-18)16-22(26(29)31-24)17-30-33-27(20-6-4-3-5-7-20)32-25(28(33)34)15-19-9-11-23(35-2)12-10-19/h3-17,27,32H,1-2H3.
What are the key properties of 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one?
3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one has a molecular weight of 482.97 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one is sourced from PubChem (CID 5161149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).