copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride

C21H18Cl2CuN4O — CID 46861760

IUPACcopper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride
SMILESC/C(=N\N1C(=O)c2ccccc2NC1c1ccccc1)c1ccccn1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C21H18N4O.2ClH.Cu/c1-15(18-12-7-8-14-22-18)24-25-20(16-9-3-2-4-10-16)23-19-13-6-5-11-17(19)21(25)26;;;/h2-14,20,23H,1H3;2*1H;/q;;;+2/p-2/b24-15+;;;
InChIKeyXOSVJQPQJKSSIJ-VWIUBBDFSA-L
MW476.85 g/mol
LogP-1.92
Rot. Bonds3

About copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride

copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride (PubChem CID 46861760) has the molecular formula C21H18Cl2CuN4O and a molecular weight of 476.85 g/mol. Its IUPAC name is copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride.

Molecular Properties

Compound Namecopper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride
PubChem CID46861760
Molecular FormulaC21H18Cl2CuN4O
Molecular Weight476.85 g/mol
Exact Mass475.02
IUPAC Namecopper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride
SMILESC/C(=N\N1C(=O)c2ccccc2NC1c1ccccc1)c1ccccn1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C21H18N4O.2ClH.Cu/c1-15(18-12-7-8-14-22-18)24-25-20(16-9-3-2-4-10-16)23-19-13-6-5-11-17(19)21(25)26;;;/h2-14,20,23H,1H3;2*1H;/q;;;+2/p-2/b24-15+;;;
InChIKeyXOSVJQPQJKSSIJ-VWIUBBDFSA-L
XLogP-1.92
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.85
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride with MolForge

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Related Compounds

(2S)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 136882713
(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
(2S)-2-(3-chlorophenyl)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 136747752
3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 4670743
2-(4-fluorophenyl)-3-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 155810584
2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 2900984
(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673215
3-[(E)-(4-fluorophenyl)methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 46906352
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
3-[(2-bromophenyl)methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 174843474
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100

Frequently Asked Questions

What is the IUPAC name of copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride?
The IUPAC name of copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride (CID 46861760) is copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride.
What is the SMILES notation for copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride?
The canonical SMILES for copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride is C/C(=N\N1C(=O)c2ccccc2NC1c1ccccc1)c1ccccn1.[Cl-].[Cl-].[Cu+2].
What is the InChIKey of copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride?
The InChIKey is XOSVJQPQJKSSIJ-VWIUBBDFSA-L. The full InChI is InChI=1S/C21H18N4O.2ClH.Cu/c1-15(18-12-7-8-14-22-18)24-25-20(16-9-3-2-4-10-16)23-19-13-6-5-11-17(19)21(25)26;;;/h2-14,20,23H,1H3;2*1H;/q;;;+2/p-2/b24-15+;;;.
What are the key properties of copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride?
copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride has a molecular weight of 476.85 g/mol, XLogP of -1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-phenyl-3-[(E)-1-pyridin-2-ylethylideneamino]-1,2-dihydroquinazolin-4-one;dichloride is sourced from PubChem (CID 46861760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).